(4-azanylquinazolin-3-ium-2-yl)methyl 3-methyl-2-nitro-benzoate

Systemtic Name: (4-azanylquinazolin-3-ium-2-yl)methyl 3-methyl-2-nitro-benzoate Openeye Name: (4-aminoquinazolin-3-ium-2-yl)methyl 3-methyl-2-nitro-benzoate CAS Name: 3-methyl-2-nitrobenzoic acid (4-amino-2-quinazolin-3-iumyl)methyl ester IUPAC Name: (4-aminoquinazolin-3-ium-2-yl)methyl 3-methyl-2-nitrobenzoate Traditional Name: 3-methyl-2-nitro-benzoic acid (4-aminoquinazolin-3-ium-2-yl)methyl ester Formula: C17H15N4O4+ MolecularWeight: 339.3254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)OCC2=NC3=CC=CC=C3C(=[NH+]2)N

Isomeric SMILES

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)OCC2=NC3=CC=CC=C3C(=[NH+]2)N

InChI

InChI=1S/C17H14N4O4/c1-10-5-4-7-12(15(10)21(23)24)17(22)25-9-14-19-13-8-3-2-6-11(13)16(18)20-14/h2-8H,9H2,1H3,(H2,18,19,20)/p+1