[2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 5-methylthiophene-2-carboxylate

Systemtic Name: [2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 5-methylthiophene-2-carboxylate Openeye Name: [2-(2-cyano-4-nitro-anilino)-2-oxo-ethyl] 5-methylthiophene-2-carboxylate CAS Name: 5-methyl-2-thiophenecarboxylic acid [2-(2-cyano-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyano-4-nitroanilino)-2-oxoethyl] 5-methylthiophene-2-carboxylate Traditional Name: 5-methylthiophene-2-carboxylic acid [2-(2-cyano-4-nitro-anilino)-2-keto-ethyl] ester Formula: C15H11N3O5S MolecularWeight: 345.32994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

CC1=CC=C(S1)C(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C15H11N3O5S/c1-9-2-5-13(24-9)15(20)23-8-14(19)17-12-4-3-11(18(21)22)6-10(12)7-16/h2-6H,8H2,1H3,(H,17,19)