[2,2-dimethyl-1-(4-oxidanylidene-1H-quinazolin-2-yl)propyl] 3,5-dinitrobenzoate

Systemtic Name: [2,2-dimethyl-1-(4-oxidanylidene-1H-quinazolin-2-yl)propyl] 3,5-dinitrobenzoate Openeye Name: [2,2-dimethyl-1-(4-oxo-1H-quinazolin-2-yl)propyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [2,2-dimethyl-1-(4-oxo-1H-quinazolin-2-yl)propyl] ester IUPAC Name: [2,2-dimethyl-1-(4-oxo-1H-quinazolin-2-yl)propyl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [1-(4-keto-1H-quinazolin-2-yl)-2,2-dimethyl-propyl] ester Formula: C20H18N4O7 MolecularWeight: 426.37952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C1=NC(=O)C2=CC=CC=C2N1)OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C(C1=NC(=O)C2=CC=CC=C2N1)OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H18N4O7/c1-20(2,3)16(17-21-15-7-5-4-6-14(15)18(25)22-17)31-19(26)11-8-12(23(27)28)10-13(9-11)24(29)30/h4-10,16H,1-3H3,(H,21,22,25)