(2S)-2-(1H-benzimidazol-2-ylmethyl)-N-[(4-nitrophenyl)methyl]-4-oxidanylidene-azetidine-1-carboxamide

Systemtic Name: (2S)-2-(1H-benzimidazol-2-ylmethyl)-N-[(4-nitrophenyl)methyl]-4-oxidanylidene-azetidine-1-carboxamide Openeye Name: (2S)-2-(1H-benzimidazol-2-ylmethyl)-N-[(4-nitrophenyl)methyl]-4-oxo-azetidine-1-carboxamide CAS Name: (2S)-2-(1H-benzimidazol-2-ylmethyl)-N-[(4-nitrophenyl)methyl]-4-oxo-1-azetidinecarboxamide IUPAC Name: (2S)-2-(1H-benzimidazol-2-ylmethyl)-N-[(4-nitrophenyl)methyl]-4-oxoazetidine-1-carboxamide Traditional Name: (2S)-2-(1H-benzimidazol-2-ylmethyl)-4-keto-N-(4-nitrobenzyl)azetidine-1-carboxamide Formula: C19H17N5O4 MolecularWeight: 379.36938

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C1=O)C(=O)NCC2=CC=C(C=C2)[N+](=O)[O-])CC3=NC4=CC=CC=C4N3

Isomeric SMILES

C1[C@@H](N(C1=O)C(=O)NCC2=CC=C(C=C2)[N+](=O)[O-])CC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C19H17N5O4/c25-18-10-14(9-17-21-15-3-1-2-4-16(15)22-17)23(18)19(26)20-11-12-5-7-13(8-6-12)24(27)28/h1-8,14H,9-11H2,(H,20,26)(H,21,22)/t14-/m0/s1