4-[(2-methyl-3,5-dinitro-phenyl)carbonylamino]benzoic acid

Systemtic Name: 4-[(2-methyl-3,5-dinitro-phenyl)carbonylamino]benzoic acid Openeye Name: 4-[(2-methyl-3,5-dinitro-benzoyl)amino]benzoic acid CAS Name: 4-[[(2-methyl-3,5-dinitrophenyl)-oxomethyl]amino]benzoic acid IUPAC Name: 4-[(2-methyl-3,5-dinitrobenzoyl)amino]benzoic acid Traditional Name: 4-[(2-methyl-3,5-dinitro-benzoyl)amino]benzoic acid Formula: C15H11N3O7 MolecularWeight: 345.26374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1C(=O)NC2=CC=C(C=C2)C(=O)O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1C(=O)NC2=CC=C(C=C2)C(=O)O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H11N3O7/c1-8-12(6-11(17(22)23)7-13(8)18(24)25)14(19)16-10-4-2-9(3-5-10)15(20)21/h2-7H,1H3,(H,16,19)(H,20,21)