2,5-dimethyl-1-(3-nitro-4-piperidin-1-yl-phenyl)pyrrole-3-carbaldehyde

Systemtic Name: 2,5-dimethyl-1-(3-nitro-4-piperidin-1-yl-phenyl)pyrrole-3-carbaldehyde Openeye Name: 2,5-dimethyl-1-[3-nitro-4-(1-piperidyl)phenyl]pyrrole-3-carbaldehyde CAS Name: 2,5-dimethyl-1-[3-nitro-4-(1-piperidinyl)phenyl]-3-pyrrolecarboxaldehyde IUPAC Name: 2,5-dimethyl-1-(3-nitro-4-piperidin-1-ylphenyl)pyrrole-3-carbaldehyde Traditional Name: 2,5-dimethyl-1-(3-nitro-4-piperidino-phenyl)pyrrole-3-carbaldehyde Formula: C18H21N3O3 MolecularWeight: 327.37764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])C)C=O

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])C)C=O

InChI

InChI=1S/C18H21N3O3/c1-13-10-15(12-22)14(2)20(13)16-6-7-17(18(11-16)21(23)24)19-8-4-3-5-9-19/h6-7,10-12H,3-5,8-9H2,1-2H3