(E)-1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-(2-nitrophenyl)prop-2-en-1-one

Systemtic Name: (E)-1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-(2-nitrophenyl)prop-2-en-1-one Openeye Name: (E)-1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-(2-nitrophenyl)prop-2-en-1-one CAS Name: (E)-1-[(2S)-2-(1H-benzimidazol-2-yl)-1-pyrrolidinyl]-3-(2-nitrophenyl)-2-propen-1-one IUPAC Name: (E)-1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-(2-nitrophenyl)prop-2-en-1-one Traditional Name: (E)-1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidino]-3-(2-nitrophenyl)prop-2-en-1-one Formula: C20H18N4O3 MolecularWeight: 362.38192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C=CC2=CC=CC=C2[N+](=O)[O-])C3=NC4=CC=CC=C4N3

Isomeric SMILES

C1C[C@H](N(C1)C(=O)/C=C/C2=CC=CC=C2[N+](=O)[O-])C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C20H18N4O3/c25-19(12-11-14-6-1-4-9-17(14)24(26)27)23-13-5-10-18(23)20-21-15-7-2-3-8-16(15)22-20/h1-4,6-9,11-12,18H,5,10,13H2,(H,21,22)/b12-11+/t18-/m0/s1