3-[(4-nitrophenyl)carbamoylamino]adamantane-1-carboxylic acid

Systemtic Name: 3-[(4-nitrophenyl)carbamoylamino]adamantane-1-carboxylic acid Openeye Name: 3-[(4-nitrophenyl)carbamoylamino]adamantane-1-carboxylic acid CAS Name: 3-[[(4-nitroanilino)-oxomethyl]amino]-1-adamantanecarboxylic acid IUPAC Name: 3-[(4-nitrophenyl)carbamoylamino]adamantane-1-carboxylic acid Traditional Name: 3-[(4-nitrophenyl)carbamoylamino]adamantane-1-carboxylic acid Formula: C18H21N3O5 MolecularWeight: 359.37644

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)NC(=O)NC4=CC=C(C=C4)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)NC(=O)NC4=CC=C(C=C4)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C18H21N3O5/c22-15(23)17-6-11-5-12(7-17)9-18(8-11,10-17)20-16(24)19-13-1-3-14(4-2-13)21(25)26/h1-4,11-12H,5-10H2,(H,22,23)(H2,19,20,24)