[2-[(2-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-[2-(1-adamantyl)ethanoylamino]ethanoate

Systemtic Name: [2-[(2-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-[2-(1-adamantyl)ethanoylamino]ethanoate Openeye Name: [2-(2-methyl-3-nitro-anilino)-2-oxo-ethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate CAS Name: 2-[[2-(1-adamantyl)-1-oxoethyl]amino]acetic acid [2-(2-methyl-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-3-nitroanilino)-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate Traditional Name: 2-[[2-(1-adamantyl)acetyl]amino]acetic acid [2-keto-2-(2-methyl-3-nitro-anilino)ethyl] ester Formula: C23H29N3O6 MolecularWeight: 443.49286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)COC(=O)CNC(=O)CC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)COC(=O)CNC(=O)CC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C23H29N3O6/c1-14-18(3-2-4-19(14)26(30)31)25-21(28)13-32-22(29)12-24-20(27)11-23-8-15-5-16(9-23)7-17(6-15)10-23/h2-4,15-17H,5-13H2,1H3,(H,24,27)(H,25,28)