(4-oxidanylidene-1H-quinazolin-2-yl)methyl 4-methyl-3-nitro-benzoate

Systemtic Name: (4-oxidanylidene-1H-quinazolin-2-yl)methyl 4-methyl-3-nitro-benzoate Openeye Name: (4-oxo-1H-quinazolin-2-yl)methyl 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid (4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (4-oxo-1H-quinazolin-2-yl)methyl 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid (4-keto-1H-quinazolin-2-yl)methyl ester Formula: C17H13N3O5 MolecularWeight: 339.30222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC2=NC(=O)C3=CC=CC=C3N2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC2=NC(=O)C3=CC=CC=C3N2)[N+](=O)[O-]

InChI

InChI=1S/C17H13N3O5/c1-10-6-7-11(8-14(10)20(23)24)17(22)25-9-15-18-13-5-3-2-4-12(13)16(21)19-15/h2-8H,9H2,1H3,(H,18,19,21)