N-[1-(cyclohexa-1,3-dien-1-ylmethyl)piperidin-4-yl]-2-methoxy-5-nitro-benzamide

Systemtic Name: N-[1-(cyclohexa-1,3-dien-1-ylmethyl)piperidin-4-yl]-2-methoxy-5-nitro-benzamide Openeye Name: N-[1-(cyclohexa-1,3-dien-1-ylmethyl)-4-piperidyl]-2-methoxy-5-nitro-benzamide CAS Name: N-[1-(1-cyclohexa-1,3-dienylmethyl)-4-piperidinyl]-2-methoxy-5-nitrobenzamide IUPAC Name: N-[1-(cyclohexa-1,3-dien-1-ylmethyl)piperidin-4-yl]-2-methoxy-5-nitrobenzamide Traditional Name: N-[1-(cyclohexa-1,3-dien-1-ylmethyl)-4-piperidyl]-2-methoxy-5-nitro-benzamide Formula: C20H25N3O4 MolecularWeight: 371.4302

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2CCN(CC2)CC3=CC=CCC3

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2CCN(CC2)CC3=CC=CCC3

InChI

InChI=1S/C20H25N3O4/c1-27-19-8-7-17(23(25)26)13-18(19)20(24)21-16-9-11-22(12-10-16)14-15-5-3-2-4-6-15/h2-3,5,7-8,13,16H,4,6,9-12,14H2,1H3,(H,21,24)