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

Systemtic Name: [2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] butanoate Openeye Name: [2-(2-bromo-4-nitro-anilino)-2-oxo-ethyl] butanoate CAS Name: butanoic acid [2-(2-bromo-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-nitroanilino)-2-oxoethyl] butanoate Traditional Name: butyric acid [2-(2-bromo-4-nitro-anilino)-2-keto-ethyl] ester Formula: C12H13BrN2O5 MolecularWeight: 345.14602

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OCC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Br

Isomeric SMILES

CCCC(=O)OCC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Br

InChI

InChI=1S/C12H13BrN2O5/c1-2-3-12(17)20-7-11(16)14-10-5-4-8(15(18)19)6-9(10)13/h4-6H,2-3,7H2,1H3,(H,14,16)