[2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 1H-pyrrole-2-carboxylate

Systemtic Name: [2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 1H-pyrrole-2-carboxylate Openeye Name: [2-(3-chloro-4-cyano-anilino)-2-oxo-ethyl] 1H-pyrrole-2-carboxylate CAS Name: 1H-pyrrole-2-carboxylic acid [2-(3-chloro-4-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 1H-pyrrole-2-carboxylate Traditional Name: 1H-pyrrole-2-carboxylic acid [2-(3-chloro-4-cyano-anilino)-2-keto-ethyl] ester Formula: C14H10ClN3O3 MolecularWeight: 303.7005

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Descriptors Computed from Structure

Canonical SMILES:

C1=CNC(=C1)C(=O)OCC(=O)NC2=CC(=C(C=C2)C#N)Cl

Isomeric SMILES

C1=CNC(=C1)C(=O)OCC(=O)NC2=CC(=C(C=C2)C#N)Cl

InChI

InChI=1S/C14H10ClN3O3/c15-11-6-10(4-3-9(11)7-16)18-13(19)8-21-14(20)12-2-1-5-17-12/h1-6,17H,8H2,(H,18,19)