[2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-azanyl-5-chloranyl-2-methoxy-benzoate

Systemtic Name: [2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: [2-(2-bromo-4-nitro-anilino)-2-oxo-ethyl] 4-amino-5-chloro-2-methoxy-benzoate CAS Name: 4-amino-5-chloro-2-methoxybenzoic acid [2-(2-bromo-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-nitroanilino)-2-oxoethyl] 4-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid [2-(2-bromo-4-nitro-anilino)-2-keto-ethyl] ester Formula: C16H13BrClN3O6 MolecularWeight: 458.64792

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br)Cl)N

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br)Cl)N

InChI

InChI=1S/C16H13BrClN3O6/c1-26-14-6-12(19)11(18)5-9(14)16(23)27-7-15(22)20-13-3-2-8(21(24)25)4-10(13)17/h2-6H,7,19H2,1H3,(H,20,22)