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

Systemtic Name: ethyl (E)-3-[4-[(3-methyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]phenyl]prop-2-enoate Openeye Name: ethyl (E)-3-[4-[(3-methyl-4-oxo-phthalazine-1-carbonyl)amino]phenyl]prop-2-enoate CAS Name: (E)-3-[4-[[(3-methyl-4-oxo-1-phthalazinyl)-oxomethyl]amino]phenyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[4-[(3-methyl-4-oxophthalazine-1-carbonyl)amino]phenyl]prop-2-enoate Traditional Name: (E)-3-[4-[(4-keto-3-methyl-phthalazine-1-carbonyl)amino]phenyl]acrylic acid ethyl ester Formula: C21H19N3O4 MolecularWeight: 377.39326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O4/c1-3-28-18(25)13-10-14-8-11-15(12-9-14)22-20(26)19-16-6-4-5-7-17(16)21(27)24(2)23-19/h4-13H,3H2,1-2H3,(H,22,26)/b13-10+