[(2R)-1-[(2-chloranyl-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(1-adamantylcarbonylamino)ethanoate

Systemtic Name: [(2R)-1-[(2-chloranyl-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(1-adamantylcarbonylamino)ethanoate Openeye Name: [(1R)-2-(2-chloro-5-nitro-anilino)-1-methyl-2-oxo-ethyl] 2-(adamantane-1-carbonylamino)acetate CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]acetic acid [(2R)-1-(2-chloro-5-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-chloro-5-nitroanilino)-1-oxopropan-2-yl] 2-(adamantane-1-carbonylamino)acetate Traditional Name: 2-(adamantane-1-carbonylamino)acetic acid [(1R)-2-(2-chloro-5-nitro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C22H26ClN3O6 MolecularWeight: 463.91134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl)OC(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl)OC(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H26ClN3O6/c1-12(20(28)25-18-7-16(26(30)31)2-3-17(18)23)32-19(27)11-24-21(29)22-8-13-4-14(9-22)6-15(5-13)10-22/h2-3,7,12-15H,4-6,8-11H2,1H3,(H,24,29)(H,25,28)/t12-,13?,14?,15?,22?/m1/s1