3-[2-(4-cyclohexylphenyl)-2-oxidanylidene-ethyl]-6-nitro-quinazolin-4-one

Systemtic Name: 3-[2-(4-cyclohexylphenyl)-2-oxidanylidene-ethyl]-6-nitro-quinazolin-4-one Openeye Name: 3-[2-(4-cyclohexylphenyl)-2-oxo-ethyl]-6-nitro-quinazolin-4-one CAS Name: 3-[2-(4-cyclohexylphenyl)-2-oxoethyl]-6-nitro-4-quinazolinone IUPAC Name: 3-[2-(4-cyclohexylphenyl)-2-oxoethyl]-6-nitroquinazolin-4-one Traditional Name: 3-[2-(4-cyclohexylphenyl)-2-keto-ethyl]-6-nitro-quinazolin-4-one Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)C(=O)CN3C=NC4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)C(=O)CN3C=NC4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H21N3O4/c26-21(17-8-6-16(7-9-17)15-4-2-1-3-5-15)13-24-14-23-20-11-10-18(25(28)29)12-19(20)22(24)27/h6-12,14-15H,1-5,13H2