4-(3,4-dimethoxyphenyl)carbonyl-2-nitro-5-piperazin-1-yl-benzaldehyde

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C2=C(C=C(C(=C2)[N+](=O)[O-])C=O)N3CCNCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)C2=C(C=C(C(=C2)[N+](=O)[O-])C=O)N3CCNCC3)OC

InChI

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