methyl 4-[(E)-2-cyano-3-oxidanylidene-3-(quinolin-5-ylamino)prop-1-enyl]benzoate hydrochloride

Systemtic Name: methyl 4-[(E)-2-cyano-3-oxidanylidene-3-(quinolin-5-ylamino)prop-1-enyl]benzoate hydrochloride Openeye Name: methyl 4-[(E)-2-cyano-3-oxo-3-(5-quinolylamino)prop-1-enyl]benzoate hydrochloride CAS Name: 4-[(E)-2-cyano-3-oxo-3-(5-quinolinylamino)prop-1-enyl]benzoic acid methyl ester hydrochloride IUPAC Name: methyl 4-[(E)-2-cyano-3-oxo-3-(quinolin-5-ylamino)prop-1-enyl]benzoate hydrochloride Traditional Name: 4-[(E)-2-cyano-3-keto-3-(5-quinolylamino)prop-1-enyl]benzoic acid methyl ester hydrochloride Formula: C21H16ClN3O3 MolecularWeight: 393.82304

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=C(C#N)C(=O)NC2=CC=CC3=C2C=CC=N3.Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC2=CC=CC3=C2C=CC=N3.Cl

InChI

InChI=1S/C21H15N3O3.ClH/c1-27-21(26)15-9-7-14(8-10-15)12-16(13-22)20(25)24-19-6-2-5-18-17(19)4-3-11-23-18;/h2-12H,1H3,(H,24,25);1H/b16-12+;