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

Systemtic Name: 3-nitro-N-[(3S)-2-oxidanylideneazepan-3-yl]benzamide Openeye Name: 3-nitro-N-[(3S)-2-oxoazepan-3-yl]benzamide CAS Name: 3-nitro-N-[(3S)-2-oxo-3-azepanyl]benzamide IUPAC Name: 3-nitro-N-[(3S)-2-oxoazepan-3-yl]benzamide Traditional Name: N-[(3S)-2-ketoazepan-3-yl]-3-nitro-benzamide Formula: C13H15N3O4 MolecularWeight: 277.2759

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O4/c17-12(9-4-3-5-10(8-9)16(19)20)15-11-6-1-2-7-14-13(11)18/h3-5,8,11H,1-2,6-7H2,(H,14,18)(H,15,17)/t11-/m0/s1