methyl 3-(1-adamantylmethylcarbamoyl)-5-nitro-benzoate

Systemtic Name: methyl 3-(1-adamantylmethylcarbamoyl)-5-nitro-benzoate Openeye Name: methyl 3-(1-adamantylmethylcarbamoyl)-5-nitro-benzoate CAS Name: 3-[(1-adamantylmethylamino)-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-(1-adamantylmethylcarbamoyl)-5-nitrobenzoate Traditional Name: 3-(1-adamantylmethylcarbamoyl)-5-nitro-benzoic acid methyl ester Formula: C20H24N2O5 MolecularWeight: 372.41496

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NCC23CC4CC(C2)CC(C4)C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NCC23CC4CC(C2)CC(C4)C3)[N+](=O)[O-]

InChI

InChI=1S/C20H24N2O5/c1-27-19(24)16-5-15(6-17(7-16)22(25)26)18(23)21-11-20-8-12-2-13(9-20)4-14(3-12)10-20/h5-7,12-14H,2-4,8-11H2,1H3,(H,21,23)