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

Systemtic Name: 2-azanyl-3-ethyl-6-methyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylic acid Openeye Name: 2-amino-3-ethyl-6-methyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylic acid CAS Name: 2-amino-3-ethyl-6-methyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylic acid IUPAC Name: 2-amino-3-ethyl-6-methyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylic acid Traditional Name: 2-amino-3-ethyl-6-methyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylic acid Formula: C16H17N3O6 MolecularWeight: 347.32268

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(C(=C(N=C1N)C)C(=O)O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCC1(C(C(=C(N=C1N)C)C(=O)O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C16H17N3O6/c1-3-16(15(22)23)12(9-5-4-6-10(7-9)19(24)25)11(13(20)21)8(2)18-14(16)17/h4-7,12H,3H2,1-2H3,(H2,17,18)(H,20,21)(H,22,23)