5-[(E)-[2-[4-(cyclohexylmethyl)piperazin-1-yl]-2-oxidanylidene-ethoxy]iminomethyl]-2-nitro-benzaldehyde

Systemtic Name: 5-[(E)-[2-[4-(cyclohexylmethyl)piperazin-1-yl]-2-oxidanylidene-ethoxy]iminomethyl]-2-nitro-benzaldehyde Openeye Name: 5-[(E)-[2-[4-(cyclohexylmethyl)piperazin-1-yl]-2-oxo-ethoxy]iminomethyl]-2-nitro-benzaldehyde CAS Name: 5-[(E)-[2-[4-(cyclohexylmethyl)-1-piperazinyl]-2-oxoethoxy]iminomethyl]-2-nitrobenzaldehyde IUPAC Name: 5-[(E)-[2-[4-(cyclohexylmethyl)piperazin-1-yl]-2-oxoethoxy]iminomethyl]-2-nitrobenzaldehyde Traditional Name: 5-[(E)-[2-[4-(cyclohexylmethyl)piperazino]-2-keto-ethyl]oximinomethyl]-2-nitro-benzaldehyde Formula: C21H28N4O5 MolecularWeight: 416.47082

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CN2CCN(CC2)C(=O)CON=CC3=CC(=C(C=C3)[N+](=O)[O-])C=O

Isomeric SMILES

C1CCC(CC1)CN2CCN(CC2)C(=O)CO/N=C/C3=CC(=C(C=C3)[N+](=O)[O-])C=O

InChI

InChI=1S/C21H28N4O5/c26-15-19-12-18(6-7-20(19)25(28)29)13-22-30-16-21(27)24-10-8-23(9-11-24)14-17-4-2-1-3-5-17/h6-7,12-13,15,17H,1-5,8-11,14,16H2/b22-13+