N-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]-4-nitro-1H-pyrrole-2-carboxamide

Systemtic Name: N-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]-4-nitro-1H-pyrrole-2-carboxamide Openeye Name: N-[(4-benzyloxy-3-methoxy-phenyl)methyl]-4-nitro-1H-pyrrole-2-carboxamide CAS Name: N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-nitro-1H-pyrrole-2-carboxamide IUPAC Name: N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-nitro-1H-pyrrole-2-carboxamide Traditional Name: N-(4-benzoxy-3-methoxy-benzyl)-4-nitro-1H-pyrrole-2-carboxamide Formula: C20H19N3O5 MolecularWeight: 381.38196

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNC(=O)C2=CC(=CN2)[N+](=O)[O-])OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)CNC(=O)C2=CC(=CN2)[N+](=O)[O-])OCC3=CC=CC=C3

InChI

InChI=1S/C20H19N3O5/c1-27-19-9-15(7-8-18(19)28-13-14-5-3-2-4-6-14)11-22-20(24)17-10-16(12-21-17)23(25)26/h2-10,12,21H,11,13H2,1H3,(H,22,24)