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

Systemtic Name: 4-[[(E)-2-[(2-bromophenyl)carbonylamino]-3-(3-nitrophenyl)prop-2-enoyl]amino]butanoate Openeye Name: 4-[[(E)-2-[(2-bromobenzoyl)amino]-3-(3-nitrophenyl)prop-2-enoyl]amino]butanoate CAS Name: 4-[[(E)-2-[[(2-bromophenyl)-oxomethyl]amino]-3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]butanoate IUPAC Name: 4-[[(E)-2-[(2-bromobenzoyl)amino]-3-(3-nitrophenyl)prop-2-enoyl]amino]butanoate Traditional Name: 4-[[(E)-2-[(2-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=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)N/C(=C/C2=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)/p-1/b17-12+