(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methyl-ethyl-[(4-nitrophenyl)methyl]azanium

Systemtic Name: (6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methyl-ethyl-[(4-nitrophenyl)methyl]azanium Openeye Name: (6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl-ethyl-[(4-nitrophenyl)methyl]ammonium CAS Name: (6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl-ethyl-[(4-nitrophenyl)methyl]ammonium IUPAC Name: (6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl-ethyl-[(4-nitrophenyl)methyl]azanium Traditional Name: ethyl-[(4-keto-6,7-dimethoxy-1H-quinazolin-2-yl)methyl]-(4-nitrobenzyl)ammonium Formula: C20H23N4O5+ MolecularWeight: 399.42042

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=C(C=C1)[N+](=O)[O-])CC2=NC(=O)C3=CC(=C(C=C3N2)OC)OC

Isomeric SMILES

CC[NH+](CC1=CC=C(C=C1)[N+](=O)[O-])CC2=NC(=O)C3=CC(=C(C=C3N2)OC)OC

InChI

InChI=1S/C20H22N4O5/c1-4-23(11-13-5-7-14(8-6-13)24(26)27)12-19-21-16-10-18(29-3)17(28-2)9-15(16)20(25)22-19/h5-10H,4,11-12H2,1-3H3,(H,21,22,25)/p+1