methyl 5-[3-(4-chloranyl-3-nitro-phenyl)prop-2-enoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate

Systemtic Name: methyl 5-[3-(4-chloranyl-3-nitro-phenyl)prop-2-enoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: methyl 5-[3-(4-chloro-3-nitro-phenyl)prop-2-enoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[3-(4-chloro-3-nitrophenyl)-1-oxoprop-2-enyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[3-(4-chloro-3-nitrophenyl)prop-2-enoylamino]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[[3-(4-chloro-3-nitro-phenyl)acryloyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylic acid methyl ester Formula: C17H12ClN3O5S MolecularWeight: 405.81228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)C=CC2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)C=CC2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C17H12ClN3O5S/c1-9-11(8-19)16(27-15(9)17(23)26-2)20-14(22)6-4-10-3-5-12(18)13(7-10)21(24)25/h3-7H,1-2H3,(H,20,22)