5-[(3-methyl-4-nitro-phenyl)carbonylamino]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[(3-methyl-4-nitro-phenyl)carbonylamino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[(3-methyl-4-nitro-benzoyl)amino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[(3-methyl-4-nitrophenyl)-oxomethyl]amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[(3-methyl-4-nitrobenzoyl)amino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[(3-methyl-4-nitro-benzoyl)amino]isophthalic acid Formula: C16H12N2O7 MolecularWeight: 344.27568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC2=CC(=CC(=C2)C(=O)O)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC2=CC(=CC(=C2)C(=O)O)C(=O)O)[N+](=O)[O-]

InChI

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