diethyl (4S)-2-azanyl-6-methyl-4-(3-nitrophenyl)-3,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: diethyl (4S)-2-azanyl-6-methyl-4-(3-nitrophenyl)-3,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl (4S)-2-amino-6-methyl-4-(3-nitrophenyl)-3,4-dihydropyridine-3,5-dicarboxylate CAS Name: (4S)-2-amino-6-methyl-4-(3-nitrophenyl)-3,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl (4S)-2-amino-6-methyl-4-(3-nitrophenyl)-3,4-dihydropyridine-3,5-dicarboxylate Traditional Name: (4S)-2-amino-6-methyl-4-(3-nitrophenyl)-3,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C18H21N3O6 MolecularWeight: 375.37584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C(=C(N=C1N)C)C(=O)OCC)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1[C@H](C(=C(N=C1N)C)C(=O)OCC)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O6/c1-4-26-17(22)13-10(3)20-16(19)15(18(23)27-5-2)14(13)11-7-6-8-12(9-11)21(24)25/h6-9,14-15H,4-5H2,1-3H3,(H2,19,20)/t14-,15?/m0/s1