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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])C)Br

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])C)Br

InChI

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