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

Systemtic Name: ethyl 4-[2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzoate Openeye Name: ethyl 4-[2-(3-chloro-4-methyl-anilino)-2-oxo-ethyl]sulfanyl-3-nitro-benzoate CAS Name: 4-[[2-(3-chloro-4-methylanilino)-2-oxoethyl]thio]-3-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl-3-nitrobenzoate Traditional Name: 4-[[2-(3-chloro-4-methyl-anilino)-2-keto-ethyl]thio]-3-nitro-benzoic acid ethyl ester Formula: C18H17ClN2O5S MolecularWeight: 408.85598

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)SCC(=O)NC2=CC(=C(C=C2)C)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)SCC(=O)NC2=CC(=C(C=C2)C)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H17ClN2O5S/c1-3-26-18(23)12-5-7-16(15(8-12)21(24)25)27-10-17(22)20-13-6-4-11(2)14(19)9-13/h4-9H,3,10H2,1-2H3,(H,20,22)