(E)-4-[[4-(6-chloranyl-2,3-dihydroindol-1-yl)quinazolin-6-yl]amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[[4-(6-chloranyl-2,3-dihydroindol-1-yl)quinazolin-6-yl]amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[[4-(6-chloroindolin-1-yl)quinazolin-6-yl]amino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[[4-(6-chloro-2,3-dihydroindol-1-yl)-6-quinazolinyl]amino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[[4-(6-chloro-2,3-dihydroindol-1-yl)quinazolin-6-yl]amino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[[4-(6-chloroindolin-1-yl)quinazolin-6-yl]amino]-4-keto-but-2-enoic acid Formula: C20H15ClN4O3 MolecularWeight: 394.8111

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=C1C=CC(=C2)Cl)C3=NC=NC4=C3C=C(C=C4)NC(=O)C=CC(=O)O

Isomeric SMILES

C1CN(C2=C1C=CC(=C2)Cl)C3=NC=NC4=C3C=C(C=C4)NC(=O)/C=C/C(=O)O

InChI

InChI=1S/C20H15ClN4O3/c21-13-2-1-12-7-8-25(17(12)9-13)20-15-10-14(3-4-16(15)22-11-23-20)24-18(26)5-6-19(27)28/h1-6,9-11H,7-8H2,(H,24,26)(H,27,28)/b6-5+