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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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