5-[4-(butylamino)butoxycarbonyl]-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate

Systemtic Name: 5-[4-(butylamino)butoxycarbonyl]-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: 5-[4-(butylamino)butoxycarbonyl]-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 5-[4-(butylamino)butoxy-oxomethyl]-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate IUPAC Name: 5-[4-(butylamino)butoxycarbonyl]-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-[4-(butylamino)butoxycarbonyl]-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Formula: C23H30N3O6- MolecularWeight: 444.5008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNCCCCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)[O-])C)C

Isomeric SMILES

CCCCNCCCCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)[O-])C)C

InChI

InChI=1S/C23H31N3O6/c1-4-5-11-24-12-6-7-13-32-23(29)20-16(3)25-15(2)19(22(27)28)21(20)17-9-8-10-18(14-17)26(30)31/h8-10,14,21,24-25H,4-7,11-13H2,1-3H3,(H,27,28)/p-1