4-[4-[2-(3-methylphenoxy)ethanoyl]piperazin-1-yl]-3-nitro-benzaldehyde

Systemtic Name: 4-[4-[2-(3-methylphenoxy)ethanoyl]piperazin-1-yl]-3-nitro-benzaldehyde Openeye Name: 4-[4-[2-(3-methylphenoxy)acetyl]piperazin-1-yl]-3-nitro-benzaldehyde CAS Name: 4-[4-[2-(3-methylphenoxy)-1-oxoethyl]-1-piperazinyl]-3-nitrobenzaldehyde IUPAC Name: 4-[4-[2-(3-methylphenoxy)acetyl]piperazin-1-yl]-3-nitrobenzaldehyde Traditional Name: 4-[4-[2-(3-methylphenoxy)acetyl]piperazino]-3-nitro-benzaldehyde Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O5/c1-15-3-2-4-17(11-15)28-14-20(25)22-9-7-21(8-10-22)18-6-5-16(13-24)12-19(18)23(26)27/h2-6,11-13H,7-10,14H2,1H3