8-chloranyl-2-ethoxycarbonyl-9-(2-methanoylpyrazol-2-ium-1-yl)-3,5-dihydropyrazolo[1,5-c]quinazoline-5-carboxylic acid

Systemtic Name: 8-chloranyl-2-ethoxycarbonyl-9-(2-methanoylpyrazol-2-ium-1-yl)-3,5-dihydropyrazolo[1,5-c]quinazoline-5-carboxylic acid Openeye Name: 8-chloro-2-ethoxycarbonyl-9-(2-formylpyrazol-2-ium-1-yl)-3,5-dihydropyrazolo[1,5-c]quinazoline-5-carboxylic acid CAS Name: 8-chloro-2-ethoxycarbonyl-9-(2-formyl-1-pyrazol-2-iumyl)-3,5-dihydropyrazolo[1,5-c]quinazoline-5-carboxylic acid IUPAC Name: 8-chloro-2-ethoxycarbonyl-9-(2-formylpyrazol-2-ium-1-yl)-3,5-dihydropyrazolo[1,5-c]quinazoline-5-carboxylic acid Traditional Name: 2-carbethoxy-8-chloro-9-(2-formylpyrazol-2-ium-1-yl)-3,5-dihydropyrazolo[1,5-c]quinazoline-5-carboxylic acid Formula: C18H15ClN5O5+ MolecularWeight: 416.7952

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C3C=C(C(=CC3=NC(N2N1)C(=O)O)Cl)N4C=CC=[N+]4C=O

Isomeric SMILES

CCOC(=O)C1=CC2=C3C=C(C(=CC3=NC(N2N1)C(=O)O)Cl)N4C=CC=[N+]4C=O

InChI

InChI=1S/C18H14ClN5O5/c1-2-29-18(28)13-8-14-10-6-15(23-5-3-4-22(23)9-25)11(19)7-12(10)20-16(17(26)27)24(14)21-13/h3-9,16H,2H2,1H3,(H-,20,21,26,27)/p+1