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

Systemtic Name: 2-[[2-[(2-bromophenyl)carbonylamino]-3-(3-nitrophenyl)prop-2-enoyl]amino]ethanoic acid Openeye Name: 2-[[2-[(2-bromobenzoyl)amino]-3-(3-nitrophenyl)prop-2-enoyl]amino]acetic acid CAS Name: 2-[[2-[[(2-bromophenyl)-oxomethyl]amino]-3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]acetic acid IUPAC Name: 2-[[2-[(2-bromobenzoyl)amino]-3-(3-nitrophenyl)prop-2-enoyl]amino]acetic acid Traditional Name: 2-[[2-[(2-bromobenzoyl)amino]-3-(3-nitrophenyl)acryloyl]amino]acetic acid Formula: C18H14BrN3O6 MolecularWeight: 448.22426

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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)NCC(=O)O)Br

Isomeric SMILES

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

InChI

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