2-[(Z)-1-chloranyl-2-(4-pentoxyphenyl)ethenyl]-4-oxidanylidene-1H-quinazoline-7-carboxylic acid

Systemtic Name: 2-[(Z)-1-chloranyl-2-(4-pentoxyphenyl)ethenyl]-4-oxidanylidene-1H-quinazoline-7-carboxylic acid Openeye Name: 2-[(Z)-1-chloro-2-(4-pentoxyphenyl)vinyl]-4-oxo-1H-quinazoline-7-carboxylic acid CAS Name: 2-[(Z)-1-chloro-2-(4-pentoxyphenyl)ethenyl]-4-oxo-1H-quinazoline-7-carboxylic acid IUPAC Name: 2-[(Z)-1-chloro-2-(4-pentoxyphenyl)ethenyl]-4-oxo-1H-quinazoline-7-carboxylic acid Traditional Name: 2-[(Z)-2-(4-amoxyphenyl)-1-chloro-vinyl]-4-keto-1H-quinazoline-7-carboxylic acid Formula: C22H21ClN2O4 MolecularWeight: 412.86614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C=C(C2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)O)Cl

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)/C=C(/C2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)O)\Cl

InChI

InChI=1S/C22H21ClN2O4/c1-2-3-4-11-29-16-8-5-14(6-9-16)12-18(23)20-24-19-13-15(22(27)28)7-10-17(19)21(26)25-20/h5-10,12-13H,2-4,11H2,1H3,(H,27,28)(H,24,25,26)/b18-12-