4-[4-[3-(4-methyl-2-nitro-phenoxy)propanoyl]piperazin-1-yl]-3-nitro-benzaldehyde

Systemtic Name: 4-[4-[3-(4-methyl-2-nitro-phenoxy)propanoyl]piperazin-1-yl]-3-nitro-benzaldehyde Openeye Name: 4-[4-[3-(4-methyl-2-nitro-phenoxy)propanoyl]piperazin-1-yl]-3-nitro-benzaldehyde CAS Name: 4-[4-[3-(4-methyl-2-nitrophenoxy)-1-oxopropyl]-1-piperazinyl]-3-nitrobenzaldehyde IUPAC Name: 4-[4-[3-(4-methyl-2-nitrophenoxy)propanoyl]piperazin-1-yl]-3-nitrobenzaldehyde Traditional Name: 4-[4-[3-(4-methyl-2-nitro-phenoxy)propanoyl]piperazino]-3-nitro-benzaldehyde Formula: C21H22N4O7 MolecularWeight: 442.42198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCC(=O)N2CCN(CC2)C3=C(C=C(C=C3)C=O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OCCC(=O)N2CCN(CC2)C3=C(C=C(C=C3)C=O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O7/c1-15-2-5-20(19(12-15)25(30)31)32-11-6-21(27)23-9-7-22(8-10-23)17-4-3-16(14-26)13-18(17)24(28)29/h2-5,12-14H,6-11H2,1H3