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

Systemtic Name: (4-azanylquinazolin-2-yl)methyl 2-(methylamino)-5-nitro-benzoate Openeye Name: (4-aminoquinazolin-2-yl)methyl 2-(methylamino)-5-nitro-benzoate CAS Name: 2-(methylamino)-5-nitrobenzoic acid (4-amino-2-quinazolinyl)methyl ester IUPAC Name: (4-aminoquinazolin-2-yl)methyl 2-(methylamino)-5-nitrobenzoate Traditional Name: 2-(methylamino)-5-nitro-benzoic acid (4-aminoquinazolin-2-yl)methyl ester Formula: C17H15N5O4 MolecularWeight: 353.3321

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC2=NC3=CC=CC=C3C(=N2)N

Isomeric SMILES

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC2=NC3=CC=CC=C3C(=N2)N

InChI

InChI=1S/C17H15N5O4/c1-19-13-7-6-10(22(24)25)8-12(13)17(23)26-9-15-20-14-5-3-2-4-11(14)16(18)21-15/h2-8,19H,9H2,1H3,(H2,18,20,21)