ethyl (E)-4-[[4-[(3-bromophenyl)amino]quinazolin-7-yl]amino]-4-oxidanylidene-but-2-enoate

Systemtic Name: ethyl (E)-4-[[4-[(3-bromophenyl)amino]quinazolin-7-yl]amino]-4-oxidanylidene-but-2-enoate Openeye Name: ethyl (E)-4-[[4-(3-bromoanilino)quinazolin-7-yl]amino]-4-oxo-but-2-enoate CAS Name: (E)-4-[[4-(3-bromoanilino)-7-quinazolinyl]amino]-4-oxo-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[[4-(3-bromoanilino)quinazolin-7-yl]amino]-4-oxobut-2-enoate Traditional Name: (E)-4-[[4-(3-bromoanilino)quinazolin-7-yl]amino]-4-keto-but-2-enoic acid ethyl ester Formula: C20H17BrN4O3 MolecularWeight: 441.27798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)NC1=CC2=C(C=C1)C(=NC=N2)NC3=CC(=CC=C3)Br

Isomeric SMILES

CCOC(=O)/C=C/C(=O)NC1=CC2=C(C=C1)C(=NC=N2)NC3=CC(=CC=C3)Br

InChI

InChI=1S/C20H17BrN4O3/c1-2-28-19(27)9-8-18(26)24-15-6-7-16-17(11-15)22-12-23-20(16)25-14-5-3-4-13(21)10-14/h3-12H,2H2,1H3,(H,24,26)(H,22,23,25)/b9-8+