1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl 2-nitrobenzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)OC(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC(C1=NC(=O)C2=CC=CC=C2N1)OC(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

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