[2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] 3-(1-adamantylcarbamoylamino)propanoate

Systemtic Name: [2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] 3-(1-adamantylcarbamoylamino)propanoate Openeye Name: [2-(2-nitroanilino)-2-oxo-ethyl] 3-(1-adamantylcarbamoylamino)propanoate CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]propanoic acid [2-(2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-nitroanilino)-2-oxoethyl] 3-(1-adamantylcarbamoylamino)propanoate Traditional Name: 3-(1-adamantylcarbamoylamino)propionic acid [2-keto-2-(2-nitroanilino)ethyl] ester Formula: C22H28N4O6 MolecularWeight: 444.48092

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NCCC(=O)OCC(=O)NC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NCCC(=O)OCC(=O)NC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C22H28N4O6/c27-19(24-17-3-1-2-4-18(17)26(30)31)13-32-20(28)5-6-23-21(29)25-22-10-14-7-15(11-22)9-16(8-14)12-22/h1-4,14-16H,5-13H2,(H,24,27)(H2,23,25,29)