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

Systemtic Name: [2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-nitrobenzoate Openeye Name: [2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-(4-bromo-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-2-methylanilino)-2-oxoethyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-(4-bromo-2-methyl-anilino)-2-keto-ethyl] ester Formula: C16H13BrN2O5 MolecularWeight: 393.18882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13BrN2O5/c1-10-7-12(17)5-6-14(10)18-15(20)9-24-16(21)11-3-2-4-13(8-11)19(22)23/h2-8H,9H2,1H3,(H,18,20)