ethyl (E)-4-[[4-[(3-chloranyl-4-pyridin-3-ylcarbonyl-phenyl)amino]quinazolin-6-yl]amino]-4-oxidanylidene-but-2-enoate

Systemtic Name: ethyl (E)-4-[[4-[(3-chloranyl-4-pyridin-3-ylcarbonyl-phenyl)amino]quinazolin-6-yl]amino]-4-oxidanylidene-but-2-enoate Openeye Name: ethyl (E)-4-[[4-[3-chloro-4-(pyridine-3-carbonyl)anilino]quinazolin-6-yl]amino]-4-oxo-but-2-enoate CAS Name: (E)-4-[[4-[3-chloro-4-[oxo(3-pyridinyl)methyl]anilino]-6-quinazolinyl]amino]-4-oxo-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[[4-[3-chloro-4-(pyridine-3-carbonyl)anilino]quinazolin-6-yl]amino]-4-oxobut-2-enoate Traditional Name: (E)-4-[[4-(3-chloro-4-nicotinoyl-anilino)quinazolin-6-yl]amino]-4-keto-but-2-enoic acid ethyl ester Formula: C26H20ClN5O4 MolecularWeight: 501.9211

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)C(=O)C4=CN=CC=C4)Cl

Isomeric SMILES

CCOC(=O)/C=C/C(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)C(=O)C4=CN=CC=C4)Cl

InChI

InChI=1S/C26H20ClN5O4/c1-2-36-24(34)10-9-23(33)31-17-6-8-22-20(12-17)26(30-15-29-22)32-18-5-7-19(21(27)13-18)25(35)16-4-3-11-28-14-16/h3-15H,2H2,1H3,(H,31,33)(H,29,30,32)/b10-9+