ethyl (E)-3-[4-[(4-oxidanylidene-3H-phthalazin-1-yl)carbonylamino]phenyl]prop-2-enoate

Systemtic Name: ethyl (E)-3-[4-[(4-oxidanylidene-3H-phthalazin-1-yl)carbonylamino]phenyl]prop-2-enoate Openeye Name: ethyl (E)-3-[4-[(4-oxo-3H-phthalazine-1-carbonyl)amino]phenyl]prop-2-enoate CAS Name: (E)-3-[4-[[oxo-(4-oxo-3H-phthalazin-1-yl)methyl]amino]phenyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[4-[(4-oxo-3H-phthalazine-1-carbonyl)amino]phenyl]prop-2-enoate Traditional Name: (E)-3-[4-[(4-keto-3H-phthalazine-1-carbonyl)amino]phenyl]acrylic acid ethyl ester Formula: C20H17N3O4 MolecularWeight: 363.36668

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=CC=C(C=C1)NC(=O)C2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

CCOC(=O)/C=C/C1=CC=C(C=C1)NC(=O)C2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C20H17N3O4/c1-2-27-17(24)12-9-13-7-10-14(11-8-13)21-20(26)18-15-5-3-4-6-16(15)19(25)23-22-18/h3-12H,2H2,1H3,(H,21,26)(H,23,25)/b12-9+