N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-(cyclopropylamino)-3-nitro-benzamide

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-(cyclopropylamino)-3-nitro-benzamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-(cyclopropylamino)-3-nitro-benzamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-(cyclopropylamino)-3-nitrobenzamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-(cyclopropylamino)-3-nitrobenzamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-(cyclopropylamino)-3-nitro-benzamide Formula: C19H19N5O3 MolecularWeight: 365.38586

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2N1)NC(=O)C3=CC(=C(C=C3)NC4CC4)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C1=NC2=CC=CC=C2N1)NC(=O)C3=CC(=C(C=C3)NC4CC4)[N+](=O)[O-]

InChI

InChI=1S/C19H19N5O3/c1-11(18-22-14-4-2-3-5-15(14)23-18)20-19(25)12-6-9-16(21-13-7-8-13)17(10-12)24(26)27/h2-6,9-11,13,21H,7-8H2,1H3,(H,20,25)(H,22,23)/t11-/m0/s1