[2-(2-adamantylamino)-2-oxidanylidene-ethyl] 3-nitrobenzoate

Systemtic Name: [2-(2-adamantylamino)-2-oxidanylidene-ethyl] 3-nitrobenzoate Openeye Name: [2-(2-adamantylamino)-2-oxo-ethyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-(2-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-adamantylamino)-2-oxoethyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-(2-adamantylamino)-2-keto-ethyl] ester Formula: C19H22N2O5 MolecularWeight: 358.38838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3NC(=O)COC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)C3NC(=O)COC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H22N2O5/c22-17(10-26-19(23)13-2-1-3-16(9-13)21(24)25)20-18-14-5-11-4-12(7-14)8-15(18)6-11/h1-3,9,11-12,14-15,18H,4-8,10H2,(H,20,22)