[2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 6-chloranyl-2H-chromene-3-carboxylate

Systemtic Name: [2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 6-chloranyl-2H-chromene-3-carboxylate Openeye Name: [2-[4-(cyanomethyl)anilino]-2-oxo-ethyl] 6-chloro-2H-chromene-3-carboxylate CAS Name: 6-chloro-2H-1-benzopyran-3-carboxylic acid [2-[4-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(cyanomethyl)anilino]-2-oxoethyl] 6-chloro-2H-chromene-3-carboxylate Traditional Name: 6-chloro-2H-chromene-3-carboxylic acid [2-[4-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C20H15ClN2O4 MolecularWeight: 382.7971

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=CC2=C(O1)C=CC(=C2)Cl)C(=O)OCC(=O)NC3=CC=C(C=C3)CC#N

Isomeric SMILES

C1C(=CC2=C(O1)C=CC(=C2)Cl)C(=O)OCC(=O)NC3=CC=C(C=C3)CC#N

InChI

InChI=1S/C20H15ClN2O4/c21-16-3-6-18-14(10-16)9-15(11-26-18)20(25)27-12-19(24)23-17-4-1-13(2-5-17)7-8-22/h1-6,9-10H,7,11-12H2,(H,23,24)