4-[[(2E)-2-(3-chloranyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-1H-quinazolin-4-yl]amino]pyrrolidine-3-carboxylic acid

Systemtic Name: 4-[[(2E)-2-(3-chloranyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-1H-quinazolin-4-yl]amino]pyrrolidine-3-carboxylic acid Openeye Name: 4-[[(2E)-2-(3-chloro-6-oxo-cyclohexa-2,4-dien-1-ylidene)-1H-quinazolin-4-yl]amino]pyrrolidine-3-carboxylic acid CAS Name: 4-[[(2E)-2-(3-chloro-6-oxo-1-cyclohexa-2,4-dienylidene)-1H-quinazolin-4-yl]amino]-3-pyrrolidinecarboxylic acid IUPAC Name: 4-[[(2E)-2-(3-chloro-6-oxocyclohexa-2,4-dien-1-ylidene)-1H-quinazolin-4-yl]amino]pyrrolidine-3-carboxylic acid Traditional Name: 4-[[(2E)-2-(3-chloro-6-keto-cyclohexa-2,4-dien-1-ylidene)-1H-quinazolin-4-yl]amino]pyrrolidine-3-carboxylic acid Formula: C19H17ClN4O3 MolecularWeight: 384.81628

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(CN1)NC2=NC(=C3C=C(C=CC3=O)Cl)NC4=CC=CC=C42)C(=O)O

Isomeric SMILES

C1C(C(CN1)NC2=N/C(=C/3\C=C(C=CC3=O)Cl)/NC4=CC=CC=C42)C(=O)O

InChI

InChI=1S/C19H17ClN4O3/c20-10-5-6-16(25)12(7-10)18-22-14-4-2-1-3-11(14)17(24-18)23-15-9-21-8-13(15)19(26)27/h1-7,13,15,21-22H,8-9H2,(H,23,24)(H,26,27)/b18-12+