2-(1-adamantylcarbonylamino)-5-nitro-benzoic acid

Systemtic Name: 2-(1-adamantylcarbonylamino)-5-nitro-benzoic acid Openeye Name: 2-(adamantane-1-carbonylamino)-5-nitro-benzoic acid CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]-5-nitrobenzoic acid IUPAC Name: 2-(adamantane-1-carbonylamino)-5-nitrobenzoic acid Traditional Name: 2-(adamantane-1-carbonylamino)-5-nitro-benzoic acid Formula: C18H20N2O5 MolecularWeight: 344.3618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C18H20N2O5/c21-16(22)14-6-13(20(24)25)1-2-15(14)19-17(23)18-7-10-3-11(8-18)5-12(4-10)9-18/h1-2,6,10-12H,3-5,7-9H2,(H,19,23)(H,21,22)