O3-[1-[methyl-(phenylmethyl)amino]propan-2-yl] O5-(6-nitrooxyhexyl) 2-azanyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O3-[1-[methyl-(phenylmethyl)amino]propan-2-yl] O5-(6-nitrooxyhexyl) 2-azanyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O3-[2-[benzyl(methyl)amino]-1-methyl-ethyl] O5-(6-nitrooxyhexyl) 2-amino-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-amino-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-[1-[methyl-(phenylmethyl)amino]propan-2-yl] ester O5-(6-nitrooxyhexyl) ester IUPAC Name: 3-O-[1-[benzyl(methyl)amino]propan-2-yl] 5-O-(6-nitrooxyhexyl) 2-amino-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-amino-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-[2-[benzyl(methyl)amino]-1-methyl-ethyl] ester O5-(6-nitrooxyhexyl) ester Formula: C31H39N5O9 MolecularWeight: 625.66946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)N)C(=O)OC(C)CN(C)CC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCCCCCCO[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(C(=C(N1)N)C(=O)OC(C)CN(C)CC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCCCCCCO[N+](=O)[O-]

InChI

InChI=1S/C31H39N5O9/c1-21(19-34(3)20-23-12-7-6-8-13-23)45-31(38)28-27(24-14-11-15-25(18-24)35(39)40)26(22(2)33-29(28)32)30(37)43-16-9-4-5-10-17-44-36(41)42/h6-8,11-15,18,21,27,33H,4-5,9-10,16-17,19-20,32H2,1-3H3