dimethyl 2,6-dimethyl-4-[5-nitro-2-[4-(2-oxidanylpropylamino)butoxy]phenyl]-1,4-dihydropyridine-3,5-dicarboxylate; 5-methoxy-7-oxabicyclo[4.1.0]hepta-1(6),2,4-triene

Systemtic Name: dimethyl 2,6-dimethyl-4-[5-nitro-2-[4-(2-oxidanylpropylamino)butoxy]phenyl]-1,4-dihydropyridine-3,5-dicarboxylate; 5-methoxy-7-oxabicyclo[4.1.0]hepta-1(6),2,4-triene Openeye Name: dimethyl 4-[2-[4-(2-hydroxypropylamino)butoxy]-5-nitro-phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate; 5-methoxy-7-oxabicyclo[4.1.0]hepta-1(6),2,4-triene CAS Name: 4-[2-[4-(2-hydroxypropylamino)butoxy]-5-nitrophenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester; 5-methoxy-7-oxabicyclo[4.1.0]hepta-1(6),2,4-triene IUPAC Name: dimethyl 4-[2-[4-(2-hydroxypropylamino)butoxy]-5-nitrophenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate; 5-methoxy-7-oxabicyclo[4.1.0]hepta-1(6),2,4-triene Traditional Name: 4-[2-[4-(2-hydroxypropylamino)butoxy]-5-nitro-phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester; 5-methoxy-7-oxabicyclo[4.1.0]hepta-1(6),2,4-triene Formula: C31H39N3O10 MolecularWeight: 613.65546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OC)C2=C(C=CC(=C2)[N+](=O)[O-])OCCCCNCC(C)O)C(=O)OC.COC1=CC=CC2=C1O2

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OC)C2=C(C=CC(=C2)[N+](=O)[O-])OCCCCNCC(C)O)C(=O)OC.COC1=CC=CC2=C1O2

InChI

InChI=1S/C24H33N3O8.C7H6O2/c1-14(28)13-25-10-6-7-11-35-19-9-8-17(27(31)32)12-18(19)22-20(23(29)33-4)15(2)26-16(3)21(22)24(30)34-5;1-8-5-3-2-4-6-7(5)9-6/h8-9,12,14,22,25-26,28H,6-7,10-11,13H2,1-5H3;2-4H,1H3