4-[[2-[(4-bromophenyl)carbonylamino]-3-(4-nitrophenyl)prop-2-enoyl]amino]benzoic acid

Systemtic Name: 4-[[2-[(4-bromophenyl)carbonylamino]-3-(4-nitrophenyl)prop-2-enoyl]amino]benzoic acid Openeye Name: 4-[[2-[(4-bromobenzoyl)amino]-3-(4-nitrophenyl)prop-2-enoyl]amino]benzoic acid CAS Name: 4-[[2-[[(4-bromophenyl)-oxomethyl]amino]-3-(4-nitrophenyl)-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 4-[[2-[(4-bromobenzoyl)amino]-3-(4-nitrophenyl)prop-2-enoyl]amino]benzoic acid Traditional Name: 4-[[2-[(4-bromobenzoyl)amino]-3-(4-nitrophenyl)acryloyl]amino]benzoic acid Formula: C23H16BrN3O6 MolecularWeight: 510.29364

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=C(C(=O)NC2=CC=C(C=C2)C(=O)O)NC(=O)C3=CC=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C=C(C(=O)NC2=CC=C(C=C2)C(=O)O)NC(=O)C3=CC=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C23H16BrN3O6/c24-17-7-3-15(4-8-17)21(28)26-20(13-14-1-11-19(12-2-14)27(32)33)22(29)25-18-9-5-16(6-10-18)23(30)31/h1-13H,(H,25,29)(H,26,28)(H,30,31)