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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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