3-(4-oxidanylidenequinazolin-3-yl)propyl 4-methyl-3-nitro-benzoate

Systemtic Name: 3-(4-oxidanylidenequinazolin-3-yl)propyl 4-methyl-3-nitro-benzoate Openeye Name: 3-(4-oxoquinazolin-3-yl)propyl 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid 3-(4-oxo-3-quinazolinyl)propyl ester IUPAC Name: 3-(4-oxoquinazolin-3-yl)propyl 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid 3-(4-ketoquinazolin-3-yl)propyl ester Formula: C19H17N3O5 MolecularWeight: 367.35538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCCCN2C=NC3=CC=CC=C3C2=O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCCCN2C=NC3=CC=CC=C3C2=O)[N+](=O)[O-]

InChI

InChI=1S/C19H17N3O5/c1-13-7-8-14(11-17(13)22(25)26)19(24)27-10-4-9-21-12-20-16-6-3-2-5-15(16)18(21)23/h2-3,5-8,11-12H,4,9-10H2,1H3