ethyl (E)-2-cyano-3-[(1-oxidanylidene-2H-isoquinolin-3-yl)amino]prop-2-enoate

Systemtic Name: ethyl (E)-2-cyano-3-[(1-oxidanylidene-2H-isoquinolin-3-yl)amino]prop-2-enoate Openeye Name: ethyl (E)-2-cyano-3-[(1-oxo-2H-isoquinolin-3-yl)amino]prop-2-enoate CAS Name: (E)-2-cyano-3-[(1-oxo-2H-isoquinolin-3-yl)amino]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-3-[(1-oxo-2H-isoquinolin-3-yl)amino]prop-2-enoate Traditional Name: (E)-2-cyano-3-[(1-keto-2H-isoquinolin-3-yl)amino]acrylic acid ethyl ester Formula: C15H13N3O3 MolecularWeight: 283.28202

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC1=CC2=CC=CC=C2C(=O)N1)C#N

Isomeric SMILES

CCOC(=O)/C(=C/NC1=CC2=CC=CC=C2C(=O)N1)/C#N

InChI

InChI=1S/C15H13N3O3/c1-2-21-15(20)11(8-16)9-17-13-7-10-5-3-4-6-12(10)14(19)18-13/h3-7,9H,2H2,1H3,(H2,17,18,19)/b11-9+