[2-[2-[(4-nitrophenyl)amino]ethylamino]-2-oxidanylidene-ethyl] adamantane-1-carboxylate

Systemtic Name: [2-[2-[(4-nitrophenyl)amino]ethylamino]-2-oxidanylidene-ethyl] adamantane-1-carboxylate Openeye Name: [2-[2-(4-nitroanilino)ethylamino]-2-oxo-ethyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [2-[2-(4-nitroanilino)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-nitroanilino)ethylamino]-2-oxoethyl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [2-keto-2-[2-(4-nitroanilino)ethylamino]ethyl] ester Formula: C21H27N3O5 MolecularWeight: 401.45618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)OCC(=O)NCCNC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)OCC(=O)NCCNC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H27N3O5/c25-19(23-6-5-22-17-1-3-18(4-2-17)24(27)28)13-29-20(26)21-10-14-7-15(11-21)9-16(8-14)12-21/h1-4,14-16,22H,5-13H2,(H,23,25)