[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 8-nitro-2-oxidanylidene-chromene-3-carboxylate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 8-nitro-2-oxidanylidene-chromene-3-carboxylate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 8-nitro-2-oxo-chromene-3-carboxylate CAS Name: 8-nitro-2-oxo-1-benzopyran-3-carboxylic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 8-nitro-2-oxochromene-3-carboxylate Traditional Name: 2-keto-8-nitro-chromene-3-carboxylic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C22H22N2O7 MolecularWeight: 426.41928

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C4=CC5=C(C(=CC=C5)[N+](=O)[O-])OC4=O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C4=CC5=C(C(=CC=C5)[N+](=O)[O-])OC4=O

InChI

InChI=1S/C22H22N2O7/c25-18(23-22-8-12-4-13(9-22)6-14(5-12)10-22)11-30-20(26)16-7-15-2-1-3-17(24(28)29)19(15)31-21(16)27/h1-3,7,12-14H,4-6,8-11H2,(H,23,25)