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

Systemtic Name: methyl 3-[[(1R)-1-(1-adamantyl)ethyl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[(1R)-1-(1-adamantyl)ethyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[(1R)-1-(1-adamantyl)ethyl]amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[(1R)-1-(1-adamantyl)ethyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[(1R)-1-(1-adamantyl)ethyl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C21H26N2O5 MolecularWeight: 386.44154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O5/c1-12(21-9-13-3-14(10-21)5-15(4-13)11-21)22-19(24)16-6-17(20(25)28-2)8-18(7-16)23(26)27/h6-8,12-15H,3-5,9-11H2,1-2H3,(H,22,24)/t12-,13?,14?,15?,21?/m1/s1