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

Systemtic Name: [2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-ethylbenzoate Openeye Name: [2-(2-bromo-4-nitro-anilino)-2-oxo-ethyl] 4-ethylbenzoate CAS Name: 4-ethylbenzoic acid [2-(2-bromo-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-nitroanilino)-2-oxoethyl] 4-ethylbenzoate Traditional Name: 4-ethylbenzoic acid [2-(2-bromo-4-nitro-anilino)-2-keto-ethyl] ester Formula: C17H15BrN2O5 MolecularWeight: 407.2154

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br

InChI

InChI=1S/C17H15BrN2O5/c1-2-11-3-5-12(6-4-11)17(22)25-10-16(21)19-15-8-7-13(20(23)24)9-14(15)18/h3-9H,2,10H2,1H3,(H,19,21)