[2-[(4-bromanyl-2,3-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-nitrobenzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C)Br)NC(=O)COC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1C)Br)NC(=O)COC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

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