N-[1-methyl-2-[2-(propanoylamino)ethyl]benzimidazol-5-yl]-4-nitro-benzamide

Systemtic Name: N-[1-methyl-2-[2-(propanoylamino)ethyl]benzimidazol-5-yl]-4-nitro-benzamide Openeye Name: N-[1-methyl-2-[2-(propanoylamino)ethyl]benzimidazol-5-yl]-4-nitro-benzamide CAS Name: N-[1-methyl-2-[2-(1-oxopropylamino)ethyl]-5-benzimidazolyl]-4-nitrobenzamide IUPAC Name: N-[1-methyl-2-[2-(propanoylamino)ethyl]benzimidazol-5-yl]-4-nitrobenzamide Traditional Name: N-[1-methyl-2-(2-propionamidoethyl)benzimidazol-5-yl]-4-nitro-benzamide Formula: C20H21N5O4 MolecularWeight: 395.41184

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NCCC1=NC2=C(N1C)C=CC(=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCC(=O)NCCC1=NC2=C(N1C)C=CC(=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O4/c1-3-19(26)21-11-10-18-23-16-12-14(6-9-17(16)24(18)2)22-20(27)13-4-7-15(8-5-13)25(28)29/h4-9,12H,3,10-11H2,1-2H3,(H,21,26)(H,22,27)