(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methyl-ethyl-[2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: (6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methyl-ethyl-[2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: (6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl-ethyl-[2-(2-methyl-5-nitro-anilino)-2-oxo-ethyl]ammonium CAS Name: (6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl-ethyl-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]ammonium IUPAC Name: (6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl-ethyl-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]azanium Traditional Name: ethyl-[(4-keto-6,7-dimethoxy-1H-quinazolin-2-yl)methyl]-[2-keto-2-(2-methyl-5-nitro-anilino)ethyl]ammonium Formula: C22H26N5O6+ MolecularWeight: 456.47174

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=NC(=O)C2=CC(=C(C=C2N1)OC)OC)CC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

CC[NH+](CC1=NC(=O)C2=CC(=C(C=C2N1)OC)OC)CC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])C

InChI

InChI=1S/C22H25N5O6/c1-5-26(12-21(28)24-16-8-14(27(30)31)7-6-13(16)2)11-20-23-17-10-19(33-4)18(32-3)9-15(17)22(29)25-20/h6-10H,5,11-12H2,1-4H3,(H,24,28)(H,23,25,29)/p+1