methyl 2-[[3-(4-nitrophenyl)-1-adamantyl]carbonylamino]propanoate

Systemtic Name: methyl 2-[[3-(4-nitrophenyl)-1-adamantyl]carbonylamino]propanoate Openeye Name: methyl 2-[[3-(4-nitrophenyl)adamantane-1-carbonyl]amino]propanoate CAS Name: 2-[[[3-(4-nitrophenyl)-1-adamantyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 2-[[3-(4-nitrophenyl)adamantane-1-carbonyl]amino]propanoate Traditional Name: 2-[[3-(4-nitrophenyl)adamantane-1-carbonyl]amino]propionic acid methyl ester Formula: C21H26N2O5 MolecularWeight: 386.44154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)NC(=O)C12CC3CC(C1)CC(C3)(C2)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)OC)NC(=O)C12CC3CC(C1)CC(C3)(C2)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H26N2O5/c1-13(18(24)28-2)22-19(25)21-10-14-7-15(11-21)9-20(8-14,12-21)16-3-5-17(6-4-16)23(26)27/h3-6,13-15H,7-12H2,1-2H3,(H,22,25)