ethyl 3-[1-adamantyl(ethyl)carbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[1-adamantyl(ethyl)carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[1-adamantyl(ethyl)carbamoyl]-5-nitro-benzoate CAS Name: 3-[[1-adamantyl(ethyl)amino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[1-adamantyl(ethyl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[1-adamantyl(ethyl)carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C22H28N2O5 MolecularWeight: 400.46812

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCN(C(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H28N2O5/c1-3-23(22-11-14-5-15(12-22)7-16(6-14)13-22)20(25)17-8-18(21(26)29-4-2)10-19(9-17)24(27)28/h8-10,14-16H,3-7,11-13H2,1-2H3