dimethyl-[[4-[(5-nitro-2-oxidanyl-phenyl)amino]quinazolin-2-yl]methyl]azanium

Systemtic Name: dimethyl-[[4-[(5-nitro-2-oxidanyl-phenyl)amino]quinazolin-2-yl]methyl]azanium Openeye Name: [4-(2-hydroxy-5-nitro-anilino)quinazolin-2-yl]methyl-dimethyl-ammonium CAS Name: [4-(2-hydroxy-5-nitroanilino)-2-quinazolinyl]methyl-dimethylammonium IUPAC Name: [4-(2-hydroxy-5-nitroanilino)quinazolin-2-yl]methyl-dimethylazanium Traditional Name: [4-(2-hydroxy-5-nitro-anilino)quinazolin-2-yl]methyl-dimethyl-ammonium Formula: C17H18N5O3+ MolecularWeight: 340.35652

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=NC2=CC=CC=C2C(=N1)NC3=C(C=CC(=C3)[N+](=O)[O-])O

Isomeric SMILES

C[NH+](C)CC1=NC2=CC=CC=C2C(=N1)NC3=C(C=CC(=C3)[N+](=O)[O-])O

InChI

InChI=1S/C17H17N5O3/c1-21(2)10-16-18-13-6-4-3-5-12(13)17(20-16)19-14-9-11(22(24)25)7-8-15(14)23/h3-9,23H,10H2,1-2H3,(H,18,19,20)/p+1