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

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

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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(11-10-14-5-3-6-15(13-14)24(26)27)23-12-4-9-18(23)20-21-16-7-1-2-8-17(16)22-20/h1-3,5-8,10-11,13,18H,4,9,12H2,(H,21,22)/b11-10+/t18-/m0/s1