N-(2-cyclohexyl-4-oxidanylidene-quinazolin-3-yl)-4-methoxy-3-nitro-benzamide

Systemtic Name: N-(2-cyclohexyl-4-oxidanylidene-quinazolin-3-yl)-4-methoxy-3-nitro-benzamide Openeye Name: N-(2-cyclohexyl-4-oxo-quinazolin-3-yl)-4-methoxy-3-nitro-benzamide CAS Name: N-(2-cyclohexyl-4-oxo-3-quinazolinyl)-4-methoxy-3-nitrobenzamide IUPAC Name: N-(2-cyclohexyl-4-oxoquinazolin-3-yl)-4-methoxy-3-nitrobenzamide Traditional Name: N-(2-cyclohexyl-4-keto-quinazolin-3-yl)-4-methoxy-3-nitro-benzamide Formula: C22H22N4O5 MolecularWeight: 422.43388

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NN2C(=NC3=CC=CC=C3C2=O)C4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NN2C(=NC3=CC=CC=C3C2=O)C4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O5/c1-31-19-12-11-15(13-18(19)26(29)30)21(27)24-25-20(14-7-3-2-4-8-14)23-17-10-6-5-9-16(17)22(25)28/h5-6,9-14H,2-4,7-8H2,1H3,(H,24,27)