N-[1-methyl-2-[2-(propanoylamino)ethyl]benzimidazol-5-yl]-3-nitro-benzamide

Systemtic Name: N-[1-methyl-2-[2-(propanoylamino)ethyl]benzimidazol-5-yl]-3-nitro-benzamide Openeye Name: N-[1-methyl-2-[2-(propanoylamino)ethyl]benzimidazol-5-yl]-3-nitro-benzamide CAS Name: N-[1-methyl-2-[2-(1-oxopropylamino)ethyl]-5-benzimidazolyl]-3-nitrobenzamide IUPAC Name: N-[1-methyl-2-[2-(propanoylamino)ethyl]benzimidazol-5-yl]-3-nitrobenzamide Traditional Name: N-[1-methyl-2-(2-propionamidoethyl)benzimidazol-5-yl]-3-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(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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