N-[5-(hydroxymethyl)-2-(4-methylpiperidin-1-yl)phenyl]-4-nitro-1H-pyrrole-2-carboxamide

Systemtic Name: N-[5-(hydroxymethyl)-2-(4-methylpiperidin-1-yl)phenyl]-4-nitro-1H-pyrrole-2-carboxamide Openeye Name: N-[5-(hydroxymethyl)-2-(4-methyl-1-piperidyl)phenyl]-4-nitro-1H-pyrrole-2-carboxamide CAS Name: N-[5-(hydroxymethyl)-2-(4-methyl-1-piperidinyl)phenyl]-4-nitro-1H-pyrrole-2-carboxamide IUPAC Name: N-[5-(hydroxymethyl)-2-(4-methylpiperidin-1-yl)phenyl]-4-nitro-1H-pyrrole-2-carboxamide Traditional Name: N-[5-methylol-2-(4-methylpiperidino)phenyl]-4-nitro-1H-pyrrole-2-carboxamide Formula: C18H22N4O4 MolecularWeight: 358.39168

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)CO)NC(=O)C3=CC(=CN3)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)CO)NC(=O)C3=CC(=CN3)[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O4/c1-12-4-6-21(7-5-12)17-3-2-13(11-23)8-15(17)20-18(24)16-9-14(10-19-16)22(25)26/h2-3,8-10,12,19,23H,4-7,11H2,1H3,(H,20,24)