2-[[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]methylamino]-4-nitro-benzoic acid

Systemtic Name: 2-[[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]methylamino]-4-nitro-benzoic acid Openeye Name: 2-[[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]methylamino]-4-nitro-benzoic acid CAS Name: 2-[[4-[(3,4-dichloroanilino)-oxomethyl]phenyl]methylamino]-4-nitrobenzoic acid IUPAC Name: 2-[[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]methylamino]-4-nitrobenzoic acid Traditional Name: 2-[[4-[(3,4-dichlorophenyl)carbamoyl]benzyl]amino]-4-nitro-benzoic acid Formula: C21H15Cl2N3O5 MolecularWeight: 460.2669

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC2=C(C=CC(=C2)[N+](=O)[O-])C(=O)O)C(=O)NC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

C1=CC(=CC=C1CNC2=C(C=CC(=C2)[N+](=O)[O-])C(=O)O)C(=O)NC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H15Cl2N3O5/c22-17-8-5-14(9-18(17)23)25-20(27)13-3-1-12(2-4-13)11-24-19-10-15(26(30)31)6-7-16(19)21(28)29/h1-10,24H,11H2,(H,25,27)(H,28,29)