ethyl 2-[[2-cyano-3-(4-methylpiperazin-1-yl)phenyl]amino]-2-oxidanylidene-ethanoate hydrochloride

Systemtic Name: ethyl 2-[[2-cyano-3-(4-methylpiperazin-1-yl)phenyl]amino]-2-oxidanylidene-ethanoate hydrochloride Openeye Name: ethyl 2-[2-cyano-3-(4-methylpiperazin-1-yl)anilino]-2-oxo-acetate hydrochloride CAS Name: 2-[2-cyano-3-(4-methyl-1-piperazinyl)anilino]-2-oxoacetic acid ethyl ester hydrochloride IUPAC Name: ethyl 2-[2-cyano-3-(4-methylpiperazin-1-yl)anilino]-2-oxoacetate hydrochloride Traditional Name: 2-[2-cyano-3-(4-methylpiperazino)anilino]-2-keto-acetic acid ethyl ester hydrochloride Formula: C16H21ClN4O3 MolecularWeight: 352.81594

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=O)NC1=CC=CC(=C1C#N)N2CCN(CC2)C.Cl

Isomeric SMILES

CCOC(=O)C(=O)NC1=CC=CC(=C1C#N)N2CCN(CC2)C.Cl

InChI

InChI=1S/C16H20N4O3.ClH/c1-3-23-16(22)15(21)18-13-5-4-6-14(12(13)11-17)20-9-7-19(2)8-10-20;/h4-6H,3,7-10H2,1-2H3,(H,18,21);1H