3-(4-nitrophenyl)adamantane-1-carboxylic acid

Systemtic Name: 3-(4-nitrophenyl)adamantane-1-carboxylic acid Openeye Name: 3-(4-nitrophenyl)adamantane-1-carboxylic acid CAS Name: 3-(4-nitrophenyl)-1-adamantanecarboxylic acid IUPAC Name: 3-(4-nitrophenyl)adamantane-1-carboxylic acid Traditional Name: 3-(4-nitrophenyl)adamantane-1-carboxylic acid Formula: C17H19NO4 MolecularWeight: 301.33706

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)C(=O)O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)C(=O)O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H19NO4/c19-15(20)17-8-11-5-12(9-17)7-16(6-11,10-17)13-1-3-14(4-2-13)18(21)22/h1-4,11-12H,5-10H2,(H,19,20)