3,5-dimethyl-4-[4-(3-nitrophenyl)carbonylpiperazin-1-yl]benzaldehyde

Systemtic Name: 3,5-dimethyl-4-[4-(3-nitrophenyl)carbonylpiperazin-1-yl]benzaldehyde Openeye Name: 3,5-dimethyl-4-[4-(3-nitrobenzoyl)piperazin-1-yl]benzaldehyde CAS Name: 3,5-dimethyl-4-[4-[(3-nitrophenyl)-oxomethyl]-1-piperazinyl]benzaldehyde IUPAC Name: 3,5-dimethyl-4-[4-(3-nitrobenzoyl)piperazin-1-yl]benzaldehyde Traditional Name: 3,5-dimethyl-4-[4-(3-nitrobenzoyl)piperazino]benzaldehyde Formula: C20H21N3O4 MolecularWeight: 367.39844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1N2CCN(CC2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-])C)C=O

Isomeric SMILES

CC1=CC(=CC(=C1N2CCN(CC2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-])C)C=O

InChI

InChI=1S/C20H21N3O4/c1-14-10-16(13-24)11-15(2)19(14)21-6-8-22(9-7-21)20(25)17-4-3-5-18(12-17)23(26)27/h3-5,10-13H,6-9H2,1-2H3