2-(4-oxidanylidenequinazolin-3-yl)ethyl 3-methyl-4-nitro-benzoate

Systemtic Name: 2-(4-oxidanylidenequinazolin-3-yl)ethyl 3-methyl-4-nitro-benzoate Openeye Name: 2-(4-oxoquinazolin-3-yl)ethyl 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid 2-(4-oxo-3-quinazolinyl)ethyl ester IUPAC Name: 2-(4-oxoquinazolin-3-yl)ethyl 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid 2-(4-ketoquinazolin-3-yl)ethyl ester Formula: C18H15N3O5 MolecularWeight: 353.3288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OCCN2C=NC3=CC=CC=C3C2=O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OCCN2C=NC3=CC=CC=C3C2=O)[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O5/c1-12-10-13(6-7-16(12)21(24)25)18(23)26-9-8-20-11-19-15-5-3-2-4-14(15)17(20)22/h2-7,10-11H,8-9H2,1H3