[1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-bromanyl-3,5-dimethoxy-benzoate

Systemtic Name: [1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-bromanyl-3,5-dimethoxy-benzoate Openeye Name: [1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] 4-bromo-3,5-dimethoxy-benzoate CAS Name: 4-bromo-3,5-dimethoxybenzoic acid [1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-nitroanilino)-1-oxopropan-2-yl] 4-bromo-3,5-dimethoxybenzoate Traditional Name: 4-bromo-3,5-dimethoxy-benzoic acid [2-keto-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C18H17BrN2O7 MolecularWeight: 453.24078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17BrN2O7/c1-10(17(22)20-12-5-4-6-13(9-12)21(24)25)28-18(23)11-7-14(26-2)16(19)15(8-11)27-3/h4-10H,1-3H3,(H,20,22)