(4-azanylquinazolin-2-yl)methyl 2-methyl-5-nitro-pyridine-3-carboxylate

Systemtic Name: (4-azanylquinazolin-2-yl)methyl 2-methyl-5-nitro-pyridine-3-carboxylate Openeye Name: (4-aminoquinazolin-2-yl)methyl 2-methyl-5-nitro-pyridine-3-carboxylate CAS Name: 2-methyl-5-nitro-3-pyridinecarboxylic acid (4-amino-2-quinazolinyl)methyl ester IUPAC Name: (4-aminoquinazolin-2-yl)methyl 2-methyl-5-nitropyridine-3-carboxylate Traditional Name: 2-methyl-5-nitro-nicotinic acid (4-aminoquinazolin-2-yl)methyl ester Formula: C16H13N5O4 MolecularWeight: 339.30552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1C(=O)OCC2=NC3=CC=CC=C3C(=N2)N)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(C=C1C(=O)OCC2=NC3=CC=CC=C3C(=N2)N)[N+](=O)[O-]

InChI

InChI=1S/C16H13N5O4/c1-9-12(6-10(7-18-9)21(23)24)16(22)25-8-14-19-13-5-3-2-4-11(13)15(17)20-14/h2-7H,8H2,1H3,(H2,17,19,20)