5-(1-adamantylcarbamoyl)-2-nitro-phenolate

Systemtic Name: 5-(1-adamantylcarbamoyl)-2-nitro-phenolate Openeye Name: 5-(1-adamantylcarbamoyl)-2-nitro-phenolate CAS Name: 5-[(1-adamantylamino)-oxomethyl]-2-nitrophenolate IUPAC Name: 5-(1-adamantylcarbamoyl)-2-nitrophenolate Traditional Name: 5-(1-adamantylcarbamoyl)-2-nitro-phenolate Formula: C17H19N2O4- MolecularWeight: 315.34376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O4/c20-15-6-13(1-2-14(15)19(22)23)16(21)18-17-7-10-3-11(8-17)5-12(4-10)9-17/h1-2,6,10-12,20H,3-5,7-9H2,(H,18,21)/p-1