N-[4-[(2R,3R)-3-nitro-6-oxidanylidene-piperidin-2-yl]phenyl]ethanamide

Systemtic Name: N-[4-[(2R,3R)-3-nitro-6-oxidanylidene-piperidin-2-yl]phenyl]ethanamide Openeye Name: N-[4-[(2R,3R)-3-nitro-6-oxo-2-piperidyl]phenyl]acetamide CAS Name: N-[4-[(2R,3R)-3-nitro-6-oxo-2-piperidinyl]phenyl]acetamide IUPAC Name: N-[4-[(2R,3R)-3-nitro-6-oxopiperidin-2-yl]phenyl]acetamide Traditional Name: N-[4-[(2R,3R)-6-keto-3-nitro-2-piperidyl]phenyl]acetamide Formula: C13H15N3O4 MolecularWeight: 277.2759

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C2C(CCC(=O)N2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)[C@@H]2[C@@H](CCC(=O)N2)[N+](=O)[O-]

InChI

InChI=1S/C13H15N3O4/c1-8(17)14-10-4-2-9(3-5-10)13-11(16(19)20)6-7-12(18)15-13/h2-5,11,13H,6-7H2,1H3,(H,14,17)(H,15,18)/t11-,13-/m1/s1