2-[(4-chloranyl-2-nitro-phenyl)amino]adamantane-1-carboxylic acid

Systemtic Name: 2-[(4-chloranyl-2-nitro-phenyl)amino]adamantane-1-carboxylic acid Openeye Name: 2-(4-chloro-2-nitro-anilino)adamantane-1-carboxylic acid CAS Name: 2-(4-chloro-2-nitroanilino)-1-adamantanecarboxylic acid IUPAC Name: 2-(4-chloro-2-nitroanilino)adamantane-1-carboxylic acid Traditional Name: 2-(4-chloro-2-nitro-anilino)adamantane-1-carboxylic acid Formula: C17H19ClN2O4 MolecularWeight: 350.79676

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3NC4=C(C=C(C=C4)Cl)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3NC4=C(C=C(C=C4)Cl)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C17H19ClN2O4/c18-12-1-2-13(14(6-12)20(23)24)19-15-11-4-9-3-10(5-11)8-17(15,7-9)16(21)22/h1-2,6,9-11,15,19H,3-5,7-8H2,(H,21,22)