(4-azanylquinazolin-2-yl)methyl 2-methoxy-5-nitro-benzoate

Systemtic Name: (4-azanylquinazolin-2-yl)methyl 2-methoxy-5-nitro-benzoate Openeye Name: (4-aminoquinazolin-2-yl)methyl 2-methoxy-5-nitro-benzoate CAS Name: 2-methoxy-5-nitrobenzoic acid (4-amino-2-quinazolinyl)methyl ester IUPAC Name: (4-aminoquinazolin-2-yl)methyl 2-methoxy-5-nitrobenzoate Traditional Name: 2-methoxy-5-nitro-benzoic acid (4-aminoquinazolin-2-yl)methyl ester Formula: C17H14N4O5 MolecularWeight: 354.31686

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC2=NC3=CC=CC=C3C(=N2)N

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC2=NC3=CC=CC=C3C(=N2)N

InChI

InChI=1S/C17H14N4O5/c1-25-14-7-6-10(21(23)24)8-12(14)17(22)26-9-15-19-13-5-3-2-4-11(13)16(18)20-15/h2-8H,9H2,1H3,(H2,18,19,20)