N-[[1-(2-acetamidoethyl)-5-methyl-pyrrol-2-yl]methyl]-4-nitro-benzamide

Systemtic Name: N-[[1-(2-acetamidoethyl)-5-methyl-pyrrol-2-yl]methyl]-4-nitro-benzamide Openeye Name: N-[[1-(2-acetamidoethyl)-5-methyl-pyrrol-2-yl]methyl]-4-nitro-benzamide CAS Name: N-[[1-(2-acetamidoethyl)-5-methyl-2-pyrrolyl]methyl]-4-nitrobenzamide IUPAC Name: N-[[1-(2-acetamidoethyl)-5-methylpyrrol-2-yl]methyl]-4-nitrobenzamide Traditional Name: N-[[1-(2-acetamidoethyl)-5-methyl-pyrrol-2-yl]methyl]-4-nitro-benzamide Formula: C17H20N4O4 MolecularWeight: 344.3651

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1CCNC(=O)C)CNC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(N1CCNC(=O)C)CNC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H20N4O4/c1-12-3-6-16(20(12)10-9-18-13(2)22)11-19-17(23)14-4-7-15(8-5-14)21(24)25/h3-8H,9-11H2,1-2H3,(H,18,22)(H,19,23)