4-[4-[1-(3,4-dimethoxyphenyl)ethyl]piperazin-1-yl]-3-nitro-benzaldehyde

Systemtic Name: 4-[4-[1-(3,4-dimethoxyphenyl)ethyl]piperazin-1-yl]-3-nitro-benzaldehyde Openeye Name: 4-[4-[1-(3,4-dimethoxyphenyl)ethyl]piperazin-1-yl]-3-nitro-benzaldehyde CAS Name: 4-[4-[1-(3,4-dimethoxyphenyl)ethyl]-1-piperazinyl]-3-nitrobenzaldehyde IUPAC Name: 4-[4-[1-(3,4-dimethoxyphenyl)ethyl]piperazin-1-yl]-3-nitrobenzaldehyde Traditional Name: 4-[4-[1-(3,4-dimethoxyphenyl)ethyl]piperazino]-3-nitro-benzaldehyde Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)OC)OC)N2CCN(CC2)C3=C(C=C(C=C3)C=O)[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC(=C(C=C1)OC)OC)N2CCN(CC2)C3=C(C=C(C=C3)C=O)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O5/c1-15(17-5-7-20(28-2)21(13-17)29-3)22-8-10-23(11-9-22)18-6-4-16(14-25)12-19(18)24(26)27/h4-7,12-15H,8-11H2,1-3H3