2-[(3,5-dinitrophenyl)carbonyl-(2-methyl-5-nitro-phenyl)carbamoyl]benzoic acid

Systemtic Name: 2-[(3,5-dinitrophenyl)carbonyl-(2-methyl-5-nitro-phenyl)carbamoyl]benzoic acid Openeye Name: 2-[(3,5-dinitrobenzoyl)-(2-methyl-5-nitro-phenyl)carbamoyl]benzoic acid CAS Name: 2-[(N-[(3,5-dinitrophenyl)-oxomethyl]-2-methyl-5-nitroanilino)-oxomethyl]benzoic acid IUPAC Name: 2-[(3,5-dinitrobenzoyl)-(2-methyl-5-nitrophenyl)carbamoyl]benzoic acid Traditional Name: 2-[(3,5-dinitrobenzoyl)-(2-methyl-5-nitro-phenyl)carbamoyl]benzoic acid Formula: C22H14N4O10 MolecularWeight: 494.36736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])N(C(=O)C2=CC=CC=C2C(=O)O)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])N(C(=O)C2=CC=CC=C2C(=O)O)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H14N4O10/c1-12-6-7-14(24(31)32)11-19(12)23(21(28)17-4-2-3-5-18(17)22(29)30)20(27)13-8-15(25(33)34)10-16(9-13)26(35)36/h2-11H,1H3,(H,29,30)