2-chloranyl-4-nitro-N-[(3S)-2-oxidanylideneazepan-3-yl]benzamide

Systemtic Name: 2-chloranyl-4-nitro-N-[(3S)-2-oxidanylideneazepan-3-yl]benzamide Openeye Name: 2-chloro-4-nitro-N-[(3S)-2-oxoazepan-3-yl]benzamide CAS Name: 2-chloro-4-nitro-N-[(3S)-2-oxo-3-azepanyl]benzamide IUPAC Name: 2-chloro-4-nitro-N-[(3S)-2-oxoazepan-3-yl]benzamide Traditional Name: 2-chloro-N-[(3S)-2-ketoazepan-3-yl]-4-nitro-benzamide Formula: C13H14ClN3O4 MolecularWeight: 311.72096

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

C1CCNC(=O)[C@H](C1)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C13H14ClN3O4/c14-10-7-8(17(20)21)4-5-9(10)12(18)16-11-3-1-2-6-15-13(11)19/h4-5,7,11H,1-3,6H2,(H,15,19)(H,16,18)/t11-/m0/s1