methyl 4-[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxidanylidene-ethoxy]-3-nitro-benzoate

Systemtic Name: methyl 4-[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxidanylidene-ethoxy]-3-nitro-benzoate Openeye Name: methyl 4-[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxo-ethoxy]-3-nitro-benzoate CAS Name: 4-[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethoxy]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethoxy]-3-nitrobenzoate Traditional Name: 4-[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-keto-ethoxy]-3-nitro-benzoic acid methyl ester Formula: C22H28N2O6 MolecularWeight: 416.46752

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)COC4=C(C=C(C=C4)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C12CC3CC(C1)CC(C3)C2)NC(=O)COC4=C(C=C(C=C4)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H28N2O6/c1-13(22-9-14-5-15(10-22)7-16(6-14)11-22)23-20(25)12-30-19-4-3-17(21(26)29-2)8-18(19)24(27)28/h3-4,8,13-16H,5-7,9-12H2,1-2H3,(H,23,25)/t13-,14?,15?,16?,22?/m1/s1