4-[(4-methyl-2-nitro-phenyl)carbamoyl]benzene-1,3-dicarboxylic acid

Systemtic Name: 4-[(4-methyl-2-nitro-phenyl)carbamoyl]benzene-1,3-dicarboxylic acid Openeye Name: 4-[(4-methyl-2-nitro-phenyl)carbamoyl]benzene-1,3-dicarboxylic acid CAS Name: 4-[(4-methyl-2-nitroanilino)-oxomethyl]benzene-1,3-dicarboxylic acid IUPAC Name: 4-[(4-methyl-2-nitrophenyl)carbamoyl]benzene-1,3-dicarboxylic acid Traditional Name: 4-[(4-methyl-2-nitro-phenyl)carbamoyl]isophthalic acid Formula: C16H12N2O7 MolecularWeight: 344.27568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=C(C=C(C=C2)C(=O)O)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=C(C=C(C=C2)C(=O)O)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C16H12N2O7/c1-8-2-5-12(13(6-8)18(24)25)17-14(19)10-4-3-9(15(20)21)7-11(10)16(22)23/h2-7H,1H3,(H,17,19)(H,20,21)(H,22,23)