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

Systemtic Name: (E)-4-[[4-[(3-bromophenyl)amino]quinazolin-7-yl]amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[[4-(3-bromoanilino)quinazolin-7-yl]amino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[[4-(3-bromoanilino)-7-quinazolinyl]amino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[[4-(3-bromoanilino)quinazolin-7-yl]amino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[[4-(3-bromoanilino)quinazolin-7-yl]amino]-4-keto-but-2-enoic acid Formula: C18H13BrN4O3 MolecularWeight: 413.22482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13BrN4O3/c19-11-2-1-3-12(8-11)23-18-14-5-4-13(9-15(14)20-10-21-18)22-16(24)6-7-17(25)26/h1-10H,(H,22,24)(H,25,26)(H,20,21,23)/b7-6+