[(2R)-1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(1-adamantyl)ethanoate

Systemtic Name: [(2R)-1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(1-adamantyl)ethanoate Openeye Name: [(1R)-1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] 2-(1-adamantyl)acetate CAS Name: 2-(1-adamantyl)acetic acid [(2R)-1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3-nitroanilino)-1-oxopropan-2-yl] 2-(1-adamantyl)acetate Traditional Name: 2-(1-adamantyl)acetic acid [(1R)-2-keto-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C21H26N2O5 MolecularWeight: 386.44154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)CC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C[C@H](C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)CC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H26N2O5/c1-13(20(25)22-17-3-2-4-18(8-17)23(26)27)28-19(24)12-21-9-14-5-15(10-21)7-16(6-14)11-21/h2-4,8,13-16H,5-7,9-12H2,1H3,(H,22,25)/t13-,14?,15?,16?,21?/m1/s1