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

Systemtic Name: [2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 5-chloranylthiophene-2-carboxylate Openeye Name: [2-(2-cyano-4-nitro-anilino)-2-oxo-ethyl] 5-chlorothiophene-2-carboxylate CAS Name: 5-chloro-2-thiophenecarboxylic acid [2-(2-cyano-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyano-4-nitroanilino)-2-oxoethyl] 5-chlorothiophene-2-carboxylate Traditional Name: 5-chlorothiophene-2-carboxylic acid [2-(2-cyano-4-nitro-anilino)-2-keto-ethyl] ester Formula: C14H8ClN3O5S MolecularWeight: 365.74842

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])C#N)NC(=O)COC(=O)C2=CC=C(S2)Cl

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])C#N)NC(=O)COC(=O)C2=CC=C(S2)Cl

InChI

InChI=1S/C14H8ClN3O5S/c15-12-4-3-11(24-12)14(20)23-7-13(19)17-10-2-1-9(18(21)22)5-8(10)6-16/h1-5H,7H2,(H,17,19)