[1-[(2-chloranyl-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] (Z)-2,3-dithiophen-2-ylprop-2-enoate

Systemtic Name: [1-[(2-chloranyl-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] (Z)-2,3-dithiophen-2-ylprop-2-enoate Openeye Name: [2-(2-chloro-4-nitro-anilino)-1-methyl-2-oxo-ethyl] (Z)-2,3-bis(2-thienyl)prop-2-enoate CAS Name: (Z)-2,3-dithiophen-2-yl-2-propenoic acid [1-(2-chloro-4-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-chloro-4-nitroanilino)-1-oxopropan-2-yl] (Z)-2,3-dithiophen-2-ylprop-2-enoate Traditional Name: (Z)-2,3-bis(2-thienyl)acrylic acid [2-(2-chloro-4-nitro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C20H15ClN2O5S2 MolecularWeight: 462.9265

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl)OC(=O)C(=CC2=CC=CS2)C3=CC=CS3

Isomeric SMILES

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl)OC(=O)/C(=C/C2=CC=CS2)/C3=CC=CS3

InChI

InChI=1S/C20H15ClN2O5S2/c1-12(19(24)22-17-7-6-13(23(26)27)10-16(17)21)28-20(25)15(18-5-3-9-30-18)11-14-4-2-8-29-14/h2-12H,1H3,(H,22,24)/b15-11+