2-(4-oxidanylidenequinazolin-3-yl)ethyl 3-nitrobenzoate

Systemtic Name: 2-(4-oxidanylidenequinazolin-3-yl)ethyl 3-nitrobenzoate Openeye Name: 2-(4-oxoquinazolin-3-yl)ethyl 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid 2-(4-oxo-3-quinazolinyl)ethyl ester IUPAC Name: 2-(4-oxoquinazolin-3-yl)ethyl 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid 2-(4-ketoquinazolin-3-yl)ethyl ester Formula: C17H13N3O5 MolecularWeight: 339.30222

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C=N2)CCOC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C=N2)CCOC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H13N3O5/c21-16-14-6-1-2-7-15(14)18-11-19(16)8-9-25-17(22)12-4-3-5-13(10-12)20(23)24/h1-7,10-11H,8-9H2