methyl 2-[(E)-[(E)-2-methyl-3-phenyl-prop-2-enylidene]amino]-1-oxidanylidene-isoquinoline-4-carboxylate

Systemtic Name: methyl 2-[(E)-[(E)-2-methyl-3-phenyl-prop-2-enylidene]amino]-1-oxidanylidene-isoquinoline-4-carboxylate Openeye Name: methyl 2-[(E)-[(E)-2-methyl-3-phenyl-prop-2-enylidene]amino]-1-oxo-isoquinoline-4-carboxylate CAS Name: 2-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1-oxo-4-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1-oxoisoquinoline-4-carboxylate Traditional Name: 1-keto-2-[(E)-[(E)-2-methyl-3-phenyl-prop-2-enylidene]amino]isoquinoline-4-carboxylic acid methyl ester Formula: C21H18N2O3 MolecularWeight: 346.37922

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC=CC=C1)C=NN2C=C(C3=CC=CC=C3C2=O)C(=O)OC

Isomeric SMILES

C/C(=C\C1=CC=CC=C1)/C=N/N2C=C(C3=CC=CC=C3C2=O)C(=O)OC

InChI

InChI=1S/C21H18N2O3/c1-15(12-16-8-4-3-5-9-16)13-22-23-14-19(21(25)26-2)17-10-6-7-11-18(17)20(23)24/h3-14H,1-2H3/b15-12+,22-13+