ethyl 2-(2-formamidoethylsulfanylmethyl)-6-methyl-5-nitro-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl 2-(2-formamidoethylsulfanylmethyl)-6-methyl-5-nitro-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 2-(2-formamidoethylsulfanylmethyl)-6-methyl-5-nitro-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 2-[(2-formamidoethylthio)methyl]-6-methyl-5-nitro-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(2-formamidoethylsulfanylmethyl)-6-methyl-5-nitro-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 2-[(2-formamidoethylthio)methyl]-6-methyl-5-nitro-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C19H22N4O7S MolecularWeight: 450.46558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4O7S/c1-3-30-19(25)17-15(10-31-8-7-20-11-24)21-12(2)18(23(28)29)16(17)13-5-4-6-14(9-13)22(26)27/h4-6,9,11,16,21H,3,7-8,10H2,1-2H3,(H,20,24)