methyl 4-[2-(1-adamantylamino)-2-oxidanylidene-ethoxy]-3-nitro-benzoate

Systemtic Name: methyl 4-[2-(1-adamantylamino)-2-oxidanylidene-ethoxy]-3-nitro-benzoate Openeye Name: methyl 4-[2-(1-adamantylamino)-2-oxo-ethoxy]-3-nitro-benzoate CAS Name: 4-[2-(1-adamantylamino)-2-oxoethoxy]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[2-(1-adamantylamino)-2-oxoethoxy]-3-nitrobenzoate Traditional Name: 4-[2-(1-adamantylamino)-2-keto-ethoxy]-3-nitro-benzoic acid methyl ester Formula: C20H24N2O6 MolecularWeight: 388.41436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O6/c1-27-19(24)15-2-3-17(16(7-15)22(25)26)28-11-18(23)21-20-8-12-4-13(9-20)6-14(5-12)10-20/h2-3,7,12-14H,4-6,8-11H2,1H3,(H,21,23)