[3-(2-nitrophenyl)sulfanyl-4-oxidanylidene-pent-2-en-2-yl] 4-chloranylbenzoate

Systemtic Name: [3-(2-nitrophenyl)sulfanyl-4-oxidanylidene-pent-2-en-2-yl] 4-chloranylbenzoate Openeye Name: [1-methyl-2-(2-nitrophenyl)sulfanyl-3-oxo-but-1-enyl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [3-[(2-nitrophenyl)thio]-4-oxopent-2-en-2-yl] ester IUPAC Name: [3-(2-nitrophenyl)sulfanyl-4-oxopent-2-en-2-yl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [3-keto-1-methyl-2-[(2-nitrophenyl)thio]but-1-enyl] ester Formula: C18H14ClNO5S MolecularWeight: 391.82546

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=O)C)SC1=CC=CC=C1[N+](=O)[O-])OC(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(=C(C(=O)C)SC1=CC=CC=C1[N+](=O)[O-])OC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H14ClNO5S/c1-11(21)17(26-16-6-4-3-5-15(16)20(23)24)12(2)25-18(22)13-7-9-14(19)10-8-13/h3-10H,1-2H3