[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4-methyl-3-nitro-phenyl)methanone

Systemtic Name: [(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4-methyl-3-nitro-phenyl)methanone Openeye Name: [(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4-methyl-3-nitro-phenyl)methanone CAS Name: [(2S)-2-(1H-benzimidazol-2-yl)-1-pyrrolidinyl]-(4-methyl-3-nitrophenyl)methanone IUPAC Name: [(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4-methyl-3-nitrophenyl)methanone Traditional Name: [(2S)-2-(1H-benzimidazol-2-yl)pyrrolidino]-(4-methyl-3-nitro-phenyl)methanone Formula: C19H18N4O3 MolecularWeight: 350.37122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCCC2C3=NC4=CC=CC=C4N3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCC[C@H]2C3=NC4=CC=CC=C4N3)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O3/c1-12-8-9-13(11-17(12)23(25)26)19(24)22-10-4-7-16(22)18-20-14-5-2-3-6-15(14)21-18/h2-3,5-6,8-9,11,16H,4,7,10H2,1H3,(H,20,21)/t16-/m0/s1