3-(6-methyl-5-nitro-pyridin-3-yl)-2-[methyl(pyridin-2-yl)carbamoyl]benzoic acid

Systemtic Name: 3-(6-methyl-5-nitro-pyridin-3-yl)-2-[methyl(pyridin-2-yl)carbamoyl]benzoic acid Openeye Name: 3-(6-methyl-5-nitro-3-pyridyl)-2-[methyl(2-pyridyl)carbamoyl]benzoic acid CAS Name: 3-(6-methyl-5-nitro-3-pyridinyl)-2-[[methyl(2-pyridinyl)amino]-oxomethyl]benzoic acid IUPAC Name: 3-(6-methyl-5-nitropyridin-3-yl)-2-[methyl(pyridin-2-yl)carbamoyl]benzoic acid Traditional Name: 3-(6-methyl-5-nitro-3-pyridyl)-2-[methyl(2-pyridyl)carbamoyl]benzoic acid Formula: C20H16N4O5 MolecularWeight: 392.36484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=N1)C2=C(C(=CC=C2)C(=O)O)C(=O)N(C)C3=CC=CC=N3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=N1)C2=C(C(=CC=C2)C(=O)O)C(=O)N(C)C3=CC=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C20H16N4O5/c1-12-16(24(28)29)10-13(11-22-12)14-6-5-7-15(20(26)27)18(14)19(25)23(2)17-8-3-4-9-21-17/h3-11H,1-2H3,(H,26,27)