[2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 4-(cyclopropylamino)-3-nitro-benzoate

Systemtic Name: [2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 4-(cyclopropylamino)-3-nitro-benzoate Openeye Name: [2-(5-chloro-2-thienyl)-2-oxo-ethyl] 4-(cyclopropylamino)-3-nitro-benzoate CAS Name: 4-(cyclopropylamino)-3-nitrobenzoic acid [2-(5-chloro-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 4-(cyclopropylamino)-3-nitrobenzoate Traditional Name: 4-(cyclopropylamino)-3-nitro-benzoic acid [2-(5-chloro-2-thienyl)-2-keto-ethyl] ester Formula: C16H13ClN2O5S MolecularWeight: 380.80282

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=C(C=C(C=C2)C(=O)OCC(=O)C3=CC=C(S3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CC1NC2=C(C=C(C=C2)C(=O)OCC(=O)C3=CC=C(S3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H13ClN2O5S/c17-15-6-5-14(25-15)13(20)8-24-16(21)9-1-4-11(18-10-2-3-10)12(7-9)19(22)23/h1,4-7,10,18H,2-3,8H2