[4-(phenylcarbamoyl)phenyl] 3,5-dinitrobenzoate

Systemtic Name: [4-(phenylcarbamoyl)phenyl] 3,5-dinitrobenzoate Openeye Name: [4-(phenylcarbamoyl)phenyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [4-[anilino(oxo)methyl]phenyl] ester IUPAC Name: [4-(phenylcarbamoyl)phenyl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [4-(phenylcarbamoyl)phenyl] ester Formula: C20H13N3O7 MolecularWeight: 407.33312

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H13N3O7/c24-19(21-15-4-2-1-3-5-15)13-6-8-18(9-7-13)30-20(25)14-10-16(22(26)27)12-17(11-14)23(28)29/h1-12H,(H,21,24)