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

Systemtic Name: 3-(4-oxidanylidenequinazolin-3-yl)propyl 2-methyl-3-nitro-benzoate Openeye Name: 3-(4-oxoquinazolin-3-yl)propyl 2-methyl-3-nitro-benzoate CAS Name: 2-methyl-3-nitrobenzoic acid 3-(4-oxo-3-quinazolinyl)propyl ester IUPAC Name: 3-(4-oxoquinazolin-3-yl)propyl 2-methyl-3-nitrobenzoate Traditional Name: 2-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=CC=C1[N+](=O)[O-])C(=O)OCCCN2C=NC3=CC=CC=C3C2=O

Isomeric SMILES

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

InChI

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