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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2N=C1NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2N=C1NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O3/c1-2-3-4-7-14-23-19(25)17-8-5-6-9-18(17)22-20(23)21-15-10-12-16(13-11-15)24(26)27/h5-6,8-13H,2-4,7,14H2,1H3,(H,21,22)