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

Systemtic Name: 3-[[(E)-2-[(4-bromophenyl)carbonylamino]-3-(3-nitrophenyl)prop-2-enoyl]amino]propanoate Openeye Name: 3-[[(E)-2-[(4-bromobenzoyl)amino]-3-(3-nitrophenyl)prop-2-enoyl]amino]propanoate CAS Name: 3-[[(E)-2-[[(4-bromophenyl)-oxomethyl]amino]-3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]propanoate IUPAC Name: 3-[[(E)-2-[(4-bromobenzoyl)amino]-3-(3-nitrophenyl)prop-2-enoyl]amino]propanoate Traditional Name: 3-[[(E)-2-[(4-bromobenzoyl)amino]-3-(3-nitrophenyl)acryloyl]amino]propionate Formula: C19H15BrN3O6- MolecularWeight: 461.2429

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16BrN3O6/c20-14-6-4-13(5-7-14)18(26)22-16(19(27)21-9-8-17(24)25)11-12-2-1-3-15(10-12)23(28)29/h1-7,10-11H,8-9H2,(H,21,27)(H,22,26)(H,24,25)/p-1/b16-11+