tert-butyl 2-[3-(4-nitrophenyl)-2-oxidanylidene-1,4-dihydroquinazolin-4-yl]ethanoate

Systemtic Name: tert-butyl 2-[3-(4-nitrophenyl)-2-oxidanylidene-1,4-dihydroquinazolin-4-yl]ethanoate Openeye Name: tert-butyl 2-[3-(4-nitrophenyl)-2-oxo-1,4-dihydroquinazolin-4-yl]acetate CAS Name: 2-[3-(4-nitrophenyl)-2-oxo-1,4-dihydroquinazolin-4-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-(4-nitrophenyl)-2-oxo-1,4-dihydroquinazolin-4-yl]acetate Traditional Name: 2-[2-keto-3-(4-nitrophenyl)-1,4-dihydroquinazolin-4-yl]acetic acid tert-butyl ester Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC1C2=CC=CC=C2NC(=O)N1C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)CC1C2=CC=CC=C2NC(=O)N1C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O5/c1-20(2,3)28-18(24)12-17-15-6-4-5-7-16(15)21-19(25)22(17)13-8-10-14(11-9-13)23(26)27/h4-11,17H,12H2,1-3H3,(H,21,25)