[2-[(4-chloranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-thiophen-3-ylpropanoate

Systemtic Name: [2-[(4-chloranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-thiophen-3-ylpropanoate Openeye Name: [2-(4-chloro-2-nitro-anilino)-2-oxo-ethyl] 3-(3-thienyl)propanoate CAS Name: 3-(3-thiophenyl)propanoic acid [2-(4-chloro-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-chloro-2-nitroanilino)-2-oxoethyl] 3-thiophen-3-ylpropanoate Traditional Name: 3-(3-thienyl)propionic acid [2-(4-chloro-2-nitro-anilino)-2-keto-ethyl] ester Formula: C15H13ClN2O5S MolecularWeight: 368.79212

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)[N+](=O)[O-])NC(=O)COC(=O)CCC2=CSC=C2

Isomeric SMILES

C1=CC(=C(C=C1Cl)[N+](=O)[O-])NC(=O)COC(=O)CCC2=CSC=C2

InChI

InChI=1S/C15H13ClN2O5S/c16-11-2-3-12(13(7-11)18(21)22)17-14(19)8-23-15(20)4-1-10-5-6-24-9-10/h2-3,5-7,9H,1,4,8H2,(H,17,19)