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

Systemtic Name: methyl 3-(1-adamantylcarbamoyl)-5-nitro-benzoate Openeye Name: methyl 3-(1-adamantylcarbamoyl)-5-nitro-benzoate CAS Name: 3-[(1-adamantylamino)-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-(1-adamantylcarbamoyl)-5-nitrobenzoate Traditional Name: 3-(1-adamantylcarbamoyl)-5-nitro-benzoic acid methyl ester Formula: C19H22N2O5 MolecularWeight: 358.38838

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NC23CC4CC(C2)CC(C4)C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NC23CC4CC(C2)CC(C4)C3)[N+](=O)[O-]

InChI

InChI=1S/C19H22N2O5/c1-26-18(23)15-5-14(6-16(7-15)21(24)25)17(22)20-19-8-11-2-12(9-19)4-13(3-11)10-19/h5-7,11-13H,2-4,8-10H2,1H3,(H,20,22)