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

Systemtic Name: 4-[[2-[(2-bromophenyl)carbonylamino]-3-(3-nitrophenyl)prop-2-enoyl]amino]butanoic acid Openeye Name: 4-[[2-[(2-bromobenzoyl)amino]-3-(3-nitrophenyl)prop-2-enoyl]amino]butanoic acid CAS Name: 4-[[2-[[(2-bromophenyl)-oxomethyl]amino]-3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]butanoic acid IUPAC Name: 4-[[2-[(2-bromobenzoyl)amino]-3-(3-nitrophenyl)prop-2-enoyl]amino]butanoic acid Traditional Name: 4-[[2-[(2-bromobenzoyl)amino]-3-(3-nitrophenyl)acryloyl]amino]butyric acid Formula: C20H18BrN3O6 MolecularWeight: 476.27742

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC(=CC2=CC(=CC=C2)[N+](=O)[O-])C(=O)NCCCC(=O)O)Br

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC(=CC2=CC(=CC=C2)[N+](=O)[O-])C(=O)NCCCC(=O)O)Br

InChI

InChI=1S/C20H18BrN3O6/c21-16-8-2-1-7-15(16)19(27)23-17(20(28)22-10-4-9-18(25)26)12-13-5-3-6-14(11-13)24(29)30/h1-3,5-8,11-12H,4,9-10H2,(H,22,28)(H,23,27)(H,25,26)