4-[[(Z)-2-[(3-bromophenyl)carbonylamino]-3-(3-nitrophenyl)prop-2-enoyl]amino]butanoate

Systemtic Name: 4-[[(Z)-2-[(3-bromophenyl)carbonylamino]-3-(3-nitrophenyl)prop-2-enoyl]amino]butanoate Openeye Name: 4-[[(Z)-2-[(3-bromobenzoyl)amino]-3-(3-nitrophenyl)prop-2-enoyl]amino]butanoate CAS Name: 4-[[(Z)-2-[[(3-bromophenyl)-oxomethyl]amino]-3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]butanoate IUPAC Name: 4-[[(Z)-2-[(3-bromobenzoyl)amino]-3-(3-nitrophenyl)prop-2-enoyl]amino]butanoate Traditional Name: 4-[[(Z)-2-[(3-bromobenzoyl)amino]-3-(3-nitrophenyl)acryloyl]amino]butyrate Formula: C20H17BrN3O6- MolecularWeight: 475.26948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18BrN3O6/c21-15-6-2-5-14(12-15)19(27)23-17(20(28)22-9-3-8-18(25)26)11-13-4-1-7-16(10-13)24(29)30/h1-2,4-7,10-12H,3,8-9H2,(H,22,28)(H,23,27)(H,25,26)/p-1/b17-11-