2-[[2-(2-methylpropanoyl)-4-nitro-phenyl]carbamoyl]benzoic acid

Systemtic Name: 2-[[2-(2-methylpropanoyl)-4-nitro-phenyl]carbamoyl]benzoic acid Openeye Name: 2-[[2-(2-methylpropanoyl)-4-nitro-phenyl]carbamoyl]benzoic acid CAS Name: 2-[[2-(2-methyl-1-oxopropyl)-4-nitroanilino]-oxomethyl]benzoic acid IUPAC Name: 2-[[2-(2-methylpropanoyl)-4-nitrophenyl]carbamoyl]benzoic acid Traditional Name: 2-[(2-isobutyryl-4-nitro-phenyl)carbamoyl]benzoic acid Formula: C18H16N2O6 MolecularWeight: 356.32944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C2=CC=CC=C2C(=O)O

Isomeric SMILES

CC(C)C(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C18H16N2O6/c1-10(2)16(21)14-9-11(20(25)26)7-8-15(14)19-17(22)12-5-3-4-6-13(12)18(23)24/h3-10H,1-2H3,(H,19,22)(H,23,24)