1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl 3-methyl-4-nitro-benzoate

Systemtic Name: 1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl 3-methyl-4-nitro-benzoate Openeye Name: 1-(4-oxo-1H-quinazolin-2-yl)ethyl 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid 1-(4-oxo-1H-quinazolin-2-yl)ethyl ester IUPAC Name: 1-(4-oxo-1H-quinazolin-2-yl)ethyl 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid 1-(4-keto-1H-quinazolin-2-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)OC(C)C2=NC(=O)C3=CC=CC=C3N2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OC(C)C2=NC(=O)C3=CC=CC=C3N2)[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O5/c1-10-9-12(7-8-15(10)21(24)25)18(23)26-11(2)16-19-14-6-4-3-5-13(14)17(22)20-16/h3-9,11H,1-2H3,(H,19,20,22)