[2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-benzamidopropanoate

Systemtic Name: [2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-benzamidopropanoate Openeye Name: [2-(2-bromo-4-nitro-anilino)-2-oxo-ethyl] 2-benzamidopropanoate CAS Name: 2-benzamidopropanoic acid [2-(2-bromo-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-nitroanilino)-2-oxoethyl] 2-benzamidopropanoate Traditional Name: 2-benzamidopropionic acid [2-(2-bromo-4-nitro-anilino)-2-keto-ethyl] ester Formula: C18H16BrN3O6 MolecularWeight: 450.24014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Br)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C(=O)OCC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Br)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H16BrN3O6/c1-11(20-17(24)12-5-3-2-4-6-12)18(25)28-10-16(23)21-15-8-7-13(22(26)27)9-14(15)19/h2-9,11H,10H2,1H3,(H,20,24)(H,21,23)