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

Systemtic Name: (4-oxidanylidene-1H-quinazolin-2-yl)methyl 4-tert-butyl-3-nitro-benzoate Openeye Name: (4-oxo-1H-quinazolin-2-yl)methyl 4-tert-butyl-3-nitro-benzoate CAS Name: 4-tert-butyl-3-nitrobenzoic acid (4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (4-oxo-1H-quinazolin-2-yl)methyl 4-tert-butyl-3-nitrobenzoate Traditional Name: 4-tert-butyl-3-nitro-benzoic acid (4-keto-1H-quinazolin-2-yl)methyl ester Formula: C20H19N3O5 MolecularWeight: 381.38196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1)C(=O)OCC2=NC(=O)C3=CC=CC=C3N2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)C(=O)OCC2=NC(=O)C3=CC=CC=C3N2)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O5/c1-20(2,3)14-9-8-12(10-16(14)23(26)27)19(25)28-11-17-21-15-7-5-4-6-13(15)18(24)22-17/h4-10H,11H2,1-3H3,(H,21,22,24)