7-chloranyl-2-[[[2-[(4-chlorophenyl)amino]-2-oxidanylidene-ethyl]-ethyl-azaniumyl]methyl]quinazolin-4-olate

Systemtic Name: 7-chloranyl-2-[[[2-[(4-chlorophenyl)amino]-2-oxidanylidene-ethyl]-ethyl-azaniumyl]methyl]quinazolin-4-olate Openeye Name: 7-chloro-2-[[[2-(4-chloroanilino)-2-oxo-ethyl]-ethyl-ammonio]methyl]quinazolin-4-olate CAS Name: 7-chloro-2-[[[2-(4-chloroanilino)-2-oxoethyl]-ethylammonio]methyl]-4-quinazolinolate IUPAC Name: 7-chloro-2-[[[2-(4-chloroanilino)-2-oxoethyl]-ethylazaniumyl]methyl]quinazolin-4-olate Traditional Name: 7-chloro-2-[[[2-(4-chloroanilino)-2-keto-ethyl]-ethyl-ammonio]methyl]quinazolin-4-olate Formula: C19H18Cl2N4O2 MolecularWeight: 405.27782

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=NC2=C(C=CC(=C2)Cl)C(=N1)[O-])CC(=O)NC3=CC=C(C=C3)Cl

Isomeric SMILES

CC[NH+](CC1=NC2=C(C=CC(=C2)Cl)C(=N1)[O-])CC(=O)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H18Cl2N4O2/c1-2-25(11-18(26)22-14-6-3-12(20)4-7-14)10-17-23-16-9-13(21)5-8-15(16)19(27)24-17/h3-9H,2,10-11H2,1H3,(H,22,26)(H,23,24,27)