[2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanoate

Systemtic Name: [2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanoate Openeye Name: [2-(5-chloro-2-thienyl)-2-oxo-ethyl] 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanoate CAS Name: 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanoic acid [2-(5-chloro-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanoate Traditional Name: 4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)butyric acid [2-(5-chloro-2-thienyl)-2-keto-ethyl] ester Formula: C17H13ClN2O7S MolecularWeight: 424.81232

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])OC(=O)N2CCCC(=O)OCC(=O)C3=CC=C(S3)Cl

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])OC(=O)N2CCCC(=O)OCC(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C17H13ClN2O7S/c18-15-6-5-14(28-15)12(21)9-26-16(22)2-1-7-19-11-4-3-10(20(24)25)8-13(11)27-17(19)23/h3-6,8H,1-2,7,9H2