methyl (2S)-2-(1-adamantyl)-2-[(4-nitrophenyl)carbonylamino]ethanoate

Systemtic Name: methyl (2S)-2-(1-adamantyl)-2-[(4-nitrophenyl)carbonylamino]ethanoate Openeye Name: methyl (2S)-2-(1-adamantyl)-2-[(4-nitrobenzoyl)amino]acetate CAS Name: (2S)-2-(1-adamantyl)-2-[[(4-nitrophenyl)-oxomethyl]amino]acetic acid methyl ester IUPAC Name: methyl (2S)-2-(1-adamantyl)-2-[(4-nitrobenzoyl)amino]acetate Traditional Name: (2S)-2-(1-adamantyl)-2-[(4-nitrobenzoyl)amino]acetic acid methyl ester Formula: C20H24N2O5 MolecularWeight: 372.41496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O5/c1-27-19(24)17(20-9-12-6-13(10-20)8-14(7-12)11-20)21-18(23)15-2-4-16(5-3-15)22(25)26/h2-5,12-14,17H,6-11H2,1H3,(H,21,23)/t12?,13?,14?,17-,20?/m1/s1