3-(2,3,4,4a,9,9a-hexahydro-1H-xanthen-9-yl)imidazole-4-carboxylate; nitric acid

Systemtic Name: 3-(2,3,4,4a,9,9a-hexahydro-1H-xanthen-9-yl)imidazole-4-carboxylate; nitric acid Openeye Name: 3-(2,3,4,4a,9,9a-hexahydro-1H-xanthen-9-yl)imidazole-4-carboxylate; nitric acid CAS Name: 3-(2,3,4,4a,9,9a-hexahydro-1H-xanthen-9-yl)-4-imidazolecarboxylate; nitric acid IUPAC Name: 3-(2,3,4,4a,9,9a-hexahydro-1H-xanthen-9-yl)imidazole-4-carboxylate; nitric acid Traditional Name: 3-(2,3,4,4a,9,9a-hexahydro-1H-xanthen-9-yl)imidazole-4-carboxylate; nitric acid Formula: C17H18N3O6- MolecularWeight: 360.34132

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(C1)C(C3=CC=CC=C3O2)N4C=NC=C4C(=O)[O-].[N+](=O)(O)[O-]

Isomeric SMILES

C1CCC2C(C1)C(C3=CC=CC=C3O2)N4C=NC=C4C(=O)[O-].[N+](=O)(O)[O-]

InChI

InChI=1S/C17H18N2O3.HNO3/c20-17(21)13-9-18-10-19(13)16-11-5-1-3-7-14(11)22-15-8-4-2-6-12(15)16;2-1(3)4/h1,3,5,7,9-10,12,15-16H,2,4,6,8H2,(H,20,21);(H,2,3,4)/p-1