(E)-5-[[4-[(3-bromophenyl)amino]quinazolin-6-yl]amino]-5-oxidanylidene-pent-3-enoic acid

Systemtic Name: (E)-5-[[4-[(3-bromophenyl)amino]quinazolin-6-yl]amino]-5-oxidanylidene-pent-3-enoic acid Openeye Name: (E)-5-[[4-(3-bromoanilino)quinazolin-6-yl]amino]-5-oxo-pent-3-enoic acid CAS Name: (E)-5-[[4-(3-bromoanilino)-6-quinazolinyl]amino]-5-oxo-3-pentenoic acid IUPAC Name: (E)-5-[[4-(3-bromoanilino)quinazolin-6-yl]amino]-5-oxopent-3-enoic acid Traditional Name: (E)-5-[[4-(3-bromoanilino)quinazolin-6-yl]amino]-5-keto-pent-3-enoic acid Formula: C19H15BrN4O3 MolecularWeight: 427.2514

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)NC2=NC=NC3=C2C=C(C=C3)NC(=O)C=CCC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)Br)NC2=NC=NC3=C2C=C(C=C3)NC(=O)/C=C/CC(=O)O

InChI

InChI=1S/C19H15BrN4O3/c20-12-3-1-4-13(9-12)24-19-15-10-14(7-8-16(15)21-11-22-19)23-17(25)5-2-6-18(26)27/h1-5,7-11H,6H2,(H,23,25)(H,26,27)(H,21,22,24)/b5-2+