5-[4-(3,4-dimethoxyphenyl)carbonylpiperazin-1-yl]-2-nitro-benzaldehyde

Systemtic Name: 5-[4-(3,4-dimethoxyphenyl)carbonylpiperazin-1-yl]-2-nitro-benzaldehyde Openeye Name: 5-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-2-nitro-benzaldehyde CAS Name: 5-[4-[(3,4-dimethoxyphenyl)-oxomethyl]-1-piperazinyl]-2-nitrobenzaldehyde IUPAC Name: 5-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-2-nitrobenzaldehyde Traditional Name: 2-nitro-5-(4-veratroylpiperazino)benzaldehyde Formula: C20H21N3O6 MolecularWeight: 399.39724

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])C=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])C=O)OC

InChI

InChI=1S/C20H21N3O6/c1-28-18-6-3-14(12-19(18)29-2)20(25)22-9-7-21(8-10-22)16-4-5-17(23(26)27)15(11-16)13-24/h3-6,11-13H,7-10H2,1-2H3