(E)-4-(3-azanylpropoxy)-4-oxidanylidene-but-2-enoic acid; 3-(3,4-dichlorophenyl)-1H-pyrazolo[4,3-c]pyridine

Systemtic Name: (E)-4-(3-azanylpropoxy)-4-oxidanylidene-but-2-enoic acid; 3-(3,4-dichlorophenyl)-1H-pyrazolo[4,3-c]pyridine Openeye Name: (E)-4-(3-aminopropoxy)-4-oxo-but-2-enoic acid; 3-(3,4-dichlorophenyl)-1H-pyrazolo[4,3-c]pyridine CAS Name: (E)-4-(3-aminopropoxy)-4-oxo-2-butenoic acid; 3-(3,4-dichlorophenyl)-1H-pyrazolo[4,3-c]pyridine IUPAC Name: (E)-4-(3-aminopropoxy)-4-oxobut-2-enoic acid; 3-(3,4-dichlorophenyl)-1H-pyrazolo[4,3-c]pyridine Traditional Name: (E)-4-(3-aminopropoxy)-4-keto-but-2-enoic acid; 3-(3,4-dichlorophenyl)-1H-pyrazolo[4,3-c]pyridine Formula: C19H18Cl2N4O4 MolecularWeight: 437.27662

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C2=NNC3=C2C=NC=C3)Cl)Cl.C(CN)COC(=O)C=CC(=O)O

Isomeric SMILES

C1=CC(=C(C=C1C2=NNC3=C2C=NC=C3)Cl)Cl.C(CN)COC(=O)/C=C/C(=O)O

InChI

InChI=1S/C12H7Cl2N3.C7H11NO4/c13-9-2-1-7(5-10(9)14)12-8-6-15-4-3-11(8)16-17-12;8-4-1-5-12-7(11)3-2-6(9)10/h1-6H,(H,16,17);2-3H,1,4-5,8H2,(H,9,10)/b;3-2+