methyl-[2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl]-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium

Systemtic Name: methyl-[2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl]-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium Openeye Name: methyl-[2-(2-nitroanilino)-2-oxo-ethyl]-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium CAS Name: methyl-[2-(2-nitroanilino)-2-oxoethyl]-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium IUPAC Name: methyl-[2-(2-nitroanilino)-2-oxoethyl]-[(4-oxo-1H-quinazolin-2-yl)methyl]azanium Traditional Name: [2-keto-2-(2-nitroanilino)ethyl]-[(4-keto-1H-quinazolin-2-yl)methyl]-methyl-ammonium Formula: C18H18N5O4+ MolecularWeight: 368.36662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N5O4/c1-22(10-16-19-13-7-3-2-6-12(13)18(25)21-16)11-17(24)20-14-8-4-5-9-15(14)23(26)27/h2-9H,10-11H2,1H3,(H,20,24)(H,19,21,25)/p+1