[4-fluoranyl-5-[(6-methoxy-7-nitro-quinazolin-4-yl)amino]-2-methyl-phenyl] methyl carbonate hydrochloride

Systemtic Name: [4-fluoranyl-5-[(6-methoxy-7-nitro-quinazolin-4-yl)amino]-2-methyl-phenyl] methyl carbonate hydrochloride Openeye Name: [4-fluoro-5-[(6-methoxy-7-nitro-quinazolin-4-yl)amino]-2-methyl-phenyl] methyl carbonate hydrochloride CAS Name: carbonic acid [4-fluoro-5-[(6-methoxy-7-nitro-4-quinazolinyl)amino]-2-methylphenyl] methyl ester hydrochloride IUPAC Name: [4-fluoro-5-[(6-methoxy-7-nitroquinazolin-4-yl)amino]-2-methylphenyl] methyl carbonate hydrochloride Traditional Name: carbonic acid [4-fluoro-5-[(6-methoxy-7-nitro-quinazolin-4-yl)amino]-2-methyl-phenyl] methyl ester hydrochloride Formula: C18H16ClFN4O6 MolecularWeight: 438.794243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1OC(=O)OC)NC2=NC=NC3=CC(=C(C=C32)OC)[N+](=O)[O-])F.Cl

Isomeric SMILES

CC1=CC(=C(C=C1OC(=O)OC)NC2=NC=NC3=CC(=C(C=C32)OC)[N+](=O)[O-])F.Cl

InChI

InChI=1S/C18H15FN4O6.ClH/c1-9-4-11(19)13(7-15(9)29-18(24)28-3)22-17-10-5-16(27-2)14(23(25)26)6-12(10)20-8-21-17;/h4-8H,1-3H3,(H,20,21,22);1H