(2R)-3-(1-adamantylamino)-2-nitro-3-oxidanylidene-propanoate

Systemtic Name: (2R)-3-(1-adamantylamino)-2-nitro-3-oxidanylidene-propanoate Openeye Name: (2R)-3-(1-adamantylamino)-2-nitro-3-oxo-propanoate CAS Name: (2R)-3-(1-adamantylamino)-2-nitro-3-oxopropanoate IUPAC Name: (2R)-3-(1-adamantylamino)-2-nitro-3-oxopropanoate Traditional Name: (2R)-3-(1-adamantylamino)-3-keto-2-nitro-propionate Formula: C13H17N2O5- MolecularWeight: 281.28448

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)C(C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)[C@H](C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H18N2O5/c16-11(10(12(17)18)15(19)20)14-13-4-7-1-8(5-13)3-9(2-7)6-13/h7-10H,1-6H2,(H,14,16)(H,17,18)/p-1/t7?,8?,9?,10-,13?/m1/s1