[2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] adamantane-2-carboxylate

Systemtic Name: [2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] adamantane-2-carboxylate Openeye Name: [2-(2-methyl-5-nitro-anilino)-2-oxo-ethyl] adamantane-2-carboxylate CAS Name: 2-adamantanecarboxylic acid [2-(2-methyl-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-5-nitroanilino)-2-oxoethyl] adamantane-2-carboxylate Traditional Name: adamantane-2-carboxylic acid [2-keto-2-(2-methyl-5-nitro-anilino)ethyl] ester Formula: C20H24N2O5 MolecularWeight: 372.41496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)C2C3CC4CC(C3)CC2C4

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)C2C3CC4CC(C3)CC2C4

InChI

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