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

Systemtic Name: [2-[(2-methoxy-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-acetamidoadamantane-1-carboxylate Openeye Name: [2-(2-methoxy-4-nitro-anilino)-2-oxo-ethyl] 3-acetamidoadamantane-1-carboxylate CAS Name: 3-acetamido-1-adamantanecarboxylic acid [2-(2-methoxy-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxy-4-nitroanilino)-2-oxoethyl] 3-acetamidoadamantane-1-carboxylate Traditional Name: 3-acetamidoadamantane-1-carboxylic acid [2-keto-2-(2-methoxy-4-nitro-anilino)ethyl] ester Formula: C22H27N3O7 MolecularWeight: 445.46568

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)OCC(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])OC

Isomeric SMILES

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)OCC(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C22H27N3O7/c1-13(26)24-22-9-14-5-15(10-22)8-21(7-14,12-22)20(28)32-11-19(27)23-17-4-3-16(25(29)30)6-18(17)31-2/h3-4,6,14-15H,5,7-12H2,1-2H3,(H,23,27)(H,24,26)