[2-[(2-methoxy-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(4-methoxyphenyl)adamantane-1-carboxylate

Systemtic Name: [2-[(2-methoxy-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(4-methoxyphenyl)adamantane-1-carboxylate Openeye Name: [2-(2-methoxy-4-nitro-anilino)-2-oxo-ethyl] 3-(4-methoxyphenyl)adamantane-1-carboxylate CAS Name: 3-(4-methoxyphenyl)-1-adamantanecarboxylic acid [2-(2-methoxy-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxy-4-nitroanilino)-2-oxoethyl] 3-(4-methoxyphenyl)adamantane-1-carboxylate Traditional Name: 3-(4-methoxyphenyl)adamantane-1-carboxylic acid [2-keto-2-(2-methoxy-4-nitro-anilino)ethyl] ester Formula: C27H30N2O7 MolecularWeight: 494.5363

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)OCC(=O)NC5=C(C=C(C=C5)[N+](=O)[O-])OC

Isomeric SMILES

COC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)OCC(=O)NC5=C(C=C(C=C5)[N+](=O)[O-])OC

InChI

InChI=1S/C27H30N2O7/c1-34-21-6-3-19(4-7-21)26-11-17-9-18(12-26)14-27(13-17,16-26)25(31)36-15-24(30)28-22-8-5-20(29(32)33)10-23(22)35-2/h3-8,10,17-18H,9,11-16H2,1-2H3,(H,28,30)