2-azanyl-6-methyl-4-(3-nitrophenyl)-3-(phenylmethyl)-4H-pyridine-3,5-dicarboxylic acid

Systemtic Name: 2-azanyl-6-methyl-4-(3-nitrophenyl)-3-(phenylmethyl)-4H-pyridine-3,5-dicarboxylic acid Openeye Name: 2-amino-3-benzyl-6-methyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylic acid CAS Name: 2-amino-6-methyl-4-(3-nitrophenyl)-3-(phenylmethyl)-4H-pyridine-3,5-dicarboxylic acid IUPAC Name: 2-amino-3-benzyl-6-methyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylic acid Traditional Name: 2-amino-3-benzyl-6-methyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylic acid Formula: C21H19N3O6 MolecularWeight: 409.39206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O6/c1-12-16(18(25)26)17(14-8-5-9-15(10-14)24(29)30)21(20(27)28,19(22)23-12)11-13-6-3-2-4-7-13/h2-10,17H,11H2,1H3,(H2,22,23)(H,25,26)(H,27,28)