3-[4-(2-cyclohexyliminopyridin-1-yl)-4-oxidanylidene-butyl]-6-nitro-1,3-benzoxazol-2-one

Systemtic Name: 3-[4-(2-cyclohexyliminopyridin-1-yl)-4-oxidanylidene-butyl]-6-nitro-1,3-benzoxazol-2-one Openeye Name: 3-[4-(2-cyclohexylimino-1-pyridyl)-4-oxo-butyl]-6-nitro-1,3-benzoxazol-2-one CAS Name: 3-[4-(2-cyclohexylimino-1-pyridinyl)-4-oxobutyl]-6-nitro-1,3-benzoxazol-2-one IUPAC Name: 3-[4-(2-cyclohexyliminopyridin-1-yl)-4-oxobutyl]-6-nitro-1,3-benzoxazol-2-one Traditional Name: 3-[4-(2-cyclohexylimino-1-pyridyl)-4-keto-butyl]-6-nitro-1,3-benzoxazol-2-one Formula: C22H24N4O5 MolecularWeight: 424.44976

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N=C2C=CC=CN2C(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

Isomeric SMILES

C1CCC(CC1)N=C2C=CC=CN2C(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

InChI

InChI=1S/C22H24N4O5/c27-21(25-13-5-4-9-20(25)23-16-7-2-1-3-8-16)10-6-14-24-18-12-11-17(26(29)30)15-19(18)31-22(24)28/h4-5,9,11-13,15-16H,1-3,6-8,10,14H2