N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methyl-propyl]-2-chloranyl-4-nitro-aniline

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methyl-propyl]-2-chloranyl-4-nitro-aniline Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methyl-propyl]-2-chloro-4-nitro-aniline CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-chloro-4-nitroaniline IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-chloro-4-nitroaniline Traditional Name: [(1S)-1-(1H-benzimidazol-2-yl)-2-methyl-propyl]-(2-chloro-4-nitro-phenyl)amine Formula: C17H17ClN4O2 MolecularWeight: 344.79548

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=NC2=CC=CC=C2N1)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)[C@@H](C1=NC2=CC=CC=C2N1)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H17ClN4O2/c1-10(2)16(17-20-14-5-3-4-6-15(14)21-17)19-13-8-7-11(22(23)24)9-12(13)18/h3-10,16,19H,1-2H3,(H,20,21)/t16-/m0/s1