[2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-ethyl] 4-methylsulfanyl-3-nitro-benzoate

Systemtic Name: [2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-ethyl] 4-methylsulfanyl-3-nitro-benzoate Openeye Name: [2-(3-acetylanilino)-2-oxo-ethyl] 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid [2-(3-acetylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-acetylanilino)-2-oxoethyl] 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid [2-(3-acetylanilino)-2-keto-ethyl] ester Formula: C18H16N2O6S MolecularWeight: 388.39444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O6S/c1-11(21)12-4-3-5-14(8-12)19-17(22)10-26-18(23)13-6-7-16(27-2)15(9-13)20(24)25/h3-9H,10H2,1-2H3,(H,19,22)