ethyl (2S)-3-(1-adamantylamino)-2-nitro-3-oxidanylidene-propanoate

Systemtic Name: ethyl (2S)-3-(1-adamantylamino)-2-nitro-3-oxidanylidene-propanoate Openeye Name: ethyl (2S)-3-(1-adamantylamino)-2-nitro-3-oxo-propanoate CAS Name: (2S)-3-(1-adamantylamino)-2-nitro-3-oxopropanoic acid ethyl ester IUPAC Name: ethyl (2S)-3-(1-adamantylamino)-2-nitro-3-oxopropanoate Traditional Name: (2S)-3-(1-adamantylamino)-3-keto-2-nitro-propionic acid ethyl ester Formula: C15H22N2O5 MolecularWeight: 310.34558

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)NC12CC3CC(C1)CC(C3)C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)[C@H](C(=O)NC12CC3CC(C1)CC(C3)C2)[N+](=O)[O-]

InChI

InChI=1S/C15H22N2O5/c1-2-22-14(19)12(17(20)21)13(18)16-15-6-9-3-10(7-15)5-11(4-9)8-15/h9-12H,2-8H2,1H3,(H,16,18)/t9?,10?,11?,12-,15?/m0/s1