3-(4-methylpentan-2-yl)-2-[(4-nitrophenyl)amino]quinazolin-4-one

Systemtic Name: 3-(4-methylpentan-2-yl)-2-[(4-nitrophenyl)amino]quinazolin-4-one Openeye Name: 3-(1,3-dimethylbutyl)-2-(4-nitroanilino)quinazolin-4-one CAS Name: 3-(4-methylpentan-2-yl)-2-(4-nitroanilino)-4-quinazolinone IUPAC Name: 3-(4-methylpentan-2-yl)-2-(4-nitroanilino)quinazolin-4-one Traditional Name: 3-(1,3-dimethylbutyl)-2-(4-nitroanilino)quinazolin-4-one Formula: C20H22N4O3 MolecularWeight: 366.41368

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C)N1C(=O)C2=CC=CC=C2N=C1NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC(C)N1C(=O)C2=CC=CC=C2N=C1NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O3/c1-13(2)12-14(3)23-19(25)17-6-4-5-7-18(17)22-20(23)21-15-8-10-16(11-9-15)24(26)27/h4-11,13-14H,12H2,1-3H3,(H,21,22)