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

Systemtic Name: 4-methoxy-N-[1-methyl-2-[2-(propanoylamino)ethyl]benzimidazol-5-yl]-3-nitro-benzamide Openeye Name: 4-methoxy-N-[1-methyl-2-[2-(propanoylamino)ethyl]benzimidazol-5-yl]-3-nitro-benzamide CAS Name: 4-methoxy-N-[1-methyl-2-[2-(1-oxopropylamino)ethyl]-5-benzimidazolyl]-3-nitrobenzamide IUPAC Name: 4-methoxy-N-[1-methyl-2-[2-(propanoylamino)ethyl]benzimidazol-5-yl]-3-nitrobenzamide Traditional Name: 4-methoxy-N-[1-methyl-2-(2-propionamidoethyl)benzimidazol-5-yl]-3-nitro-benzamide Formula: C21H23N5O5 MolecularWeight: 425.43782

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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)OC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O5/c1-4-20(27)22-10-9-19-24-15-12-14(6-7-16(15)25(19)2)23-21(28)13-5-8-18(31-3)17(11-13)26(29)30/h5-8,11-12H,4,9-10H2,1-3H3,(H,22,27)(H,23,28)