4-[4-[3-(3-methylphenoxy)propanoyl]piperazin-1-yl]-3-nitro-benzaldehyde

Systemtic Name: 4-[4-[3-(3-methylphenoxy)propanoyl]piperazin-1-yl]-3-nitro-benzaldehyde Openeye Name: 4-[4-[3-(3-methylphenoxy)propanoyl]piperazin-1-yl]-3-nitro-benzaldehyde CAS Name: 4-[4-[3-(3-methylphenoxy)-1-oxopropyl]-1-piperazinyl]-3-nitrobenzaldehyde IUPAC Name: 4-[4-[3-(3-methylphenoxy)propanoyl]piperazin-1-yl]-3-nitrobenzaldehyde Traditional Name: 4-[4-[3-(3-methylphenoxy)propanoyl]piperazino]-3-nitro-benzaldehyde Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O5/c1-16-3-2-4-18(13-16)29-12-7-21(26)23-10-8-22(9-11-23)19-6-5-17(15-25)14-20(19)24(27)28/h2-6,13-15H,7-12H2,1H3