[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-methyl-4-nitro-benzoate

Systemtic Name: [2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-methyl-4-nitro-benzoate Openeye Name: [2-(4-bromo-3-methyl-anilino)-2-oxo-ethyl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [2-(4-bromo-3-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-3-methylanilino)-2-oxoethyl] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [2-(4-bromo-3-methyl-anilino)-2-keto-ethyl] ester Formula: C17H15BrN2O5 MolecularWeight: 407.2154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OCC(=O)NC2=CC(=C(C=C2)Br)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OCC(=O)NC2=CC(=C(C=C2)Br)C)[N+](=O)[O-]

InChI

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