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

Systemtic Name: 2-[[(E)-2-[(4-bromophenyl)carbonylamino]-3-(3-nitrophenyl)prop-2-enoyl]amino]ethanoate Openeye Name: 2-[[(E)-2-[(4-bromobenzoyl)amino]-3-(3-nitrophenyl)prop-2-enoyl]amino]acetate CAS Name: 2-[[(E)-2-[[(4-bromophenyl)-oxomethyl]amino]-3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]acetate IUPAC Name: 2-[[(E)-2-[(4-bromobenzoyl)amino]-3-(3-nitrophenyl)prop-2-enoyl]amino]acetate Traditional Name: 2-[[(E)-2-[(4-bromobenzoyl)amino]-3-(3-nitrophenyl)acryloyl]amino]acetate Formula: C18H13BrN3O6- MolecularWeight: 447.21632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14BrN3O6/c19-13-6-4-12(5-7-13)17(25)21-15(18(26)20-10-16(23)24)9-11-2-1-3-14(8-11)22(27)28/h1-9H,10H2,(H,20,26)(H,21,25)(H,23,24)/p-1/b15-9+