2-(3-azanylpropyl)-5-[2-(3-nitrophenyl)pyridin-4-yl]pyrazole-3-carboxylic acid dihydrochloride

Systemtic Name: 2-(3-azanylpropyl)-5-[2-(3-nitrophenyl)pyridin-4-yl]pyrazole-3-carboxylic acid dihydrochloride Openeye Name: 2-(3-aminopropyl)-5-[2-(3-nitrophenyl)-4-pyridyl]pyrazole-3-carboxylic acid dihydrochloride CAS Name: 2-(3-aminopropyl)-5-[2-(3-nitrophenyl)-4-pyridinyl]-3-pyrazolecarboxylic acid dihydrochloride IUPAC Name: 2-(3-aminopropyl)-5-[2-(3-nitrophenyl)pyridin-4-yl]pyrazole-3-carboxylic acid dihydrochloride Traditional Name: 2-(3-aminopropyl)-5-[2-(3-nitrophenyl)-4-pyridyl]pyrazole-3-carboxylic acid dihydrochloride Formula: C18H19Cl2N5O4 MolecularWeight: 440.28056

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C2=NC=CC(=C2)C3=NN(C(=C3)C(=O)O)CCCN.Cl.Cl

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C2=NC=CC(=C2)C3=NN(C(=C3)C(=O)O)CCCN.Cl.Cl

InChI

InChI=1S/C18H17N5O4.2ClH/c19-6-2-8-22-17(18(24)25)11-16(21-22)13-5-7-20-15(10-13)12-3-1-4-14(9-12)23(26)27;;/h1,3-5,7,9-11H,2,6,8,19H2,(H,24,25);2*1H