[2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-chloranyladamantane-1-carboxylate

Systemtic Name: [2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-chloranyladamantane-1-carboxylate Openeye Name: [2-(4-methyl-2-nitro-anilino)-2-oxo-ethyl] 3-chloroadamantane-1-carboxylate CAS Name: 3-chloro-1-adamantanecarboxylic acid [2-(4-methyl-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-2-nitroanilino)-2-oxoethyl] 3-chloroadamantane-1-carboxylate Traditional Name: 3-chloroadamantane-1-carboxylic acid [2-keto-2-(4-methyl-2-nitro-anilino)ethyl] ester Formula: C20H23ClN2O5 MolecularWeight: 406.86002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H23ClN2O5/c1-12-2-3-15(16(4-12)23(26)27)22-17(24)10-28-18(25)19-6-13-5-14(7-19)9-20(21,8-13)11-19/h2-4,13-14H,5-11H2,1H3,(H,22,24)