2-[[4-[(3,5-dinitrophenyl)amino]phenyl]carbamoyl]benzoic acid

Systemtic Name: 2-[[4-[(3,5-dinitrophenyl)amino]phenyl]carbamoyl]benzoic acid Openeye Name: 2-[[4-(3,5-dinitroanilino)phenyl]carbamoyl]benzoic acid CAS Name: 2-[[4-(3,5-dinitroanilino)anilino]-oxomethyl]benzoic acid IUPAC Name: 2-[[4-(3,5-dinitroanilino)phenyl]carbamoyl]benzoic acid Traditional Name: 2-[[4-(3,5-dinitroanilino)phenyl]carbamoyl]benzoic acid Formula: C20H14N4O7 MolecularWeight: 422.34776

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)NC3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)NC3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C20H14N4O7/c25-19(17-3-1-2-4-18(17)20(26)27)22-13-7-5-12(6-8-13)21-14-9-15(23(28)29)11-16(10-14)24(30)31/h1-11,21H,(H,22,25)(H,26,27)