1-methyl-3-[(Z)-(5-oxidanylidene-3-propan-2-yloxy-1H-pyrazol-4-ylidene)methyl]indole-6-carboxylic acid

Systemtic Name: 1-methyl-3-[(Z)-(5-oxidanylidene-3-propan-2-yloxy-1H-pyrazol-4-ylidene)methyl]indole-6-carboxylic acid Openeye Name: 3-[(Z)-(3-isopropoxy-5-oxo-1H-pyrazol-4-ylidene)methyl]-1-methyl-indole-6-carboxylic acid CAS Name: 1-methyl-3-[(Z)-(5-oxo-3-propan-2-yloxy-1H-pyrazol-4-ylidene)methyl]-6-indolecarboxylic acid IUPAC Name: 1-methyl-3-[(Z)-(5-oxo-3-propan-2-yloxy-1H-pyrazol-4-ylidene)methyl]indole-6-carboxylic acid Traditional Name: 3-[(Z)-(3-isopropoxy-5-keto-2-pyrazolin-4-ylidene)methyl]-1-methyl-indole-6-carboxylic acid Formula: C17H17N3O4 MolecularWeight: 327.33458

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=NNC(=O)C1=CC2=CN(C3=C2C=CC(=C3)C(=O)O)C

Isomeric SMILES

CC(C)OC\1=NNC(=O)/C1=C\C2=CN(C3=C2C=CC(=C3)C(=O)O)C

InChI

InChI=1S/C17H17N3O4/c1-9(2)24-16-13(15(21)18-19-16)6-11-8-20(3)14-7-10(17(22)23)4-5-12(11)14/h4-9H,1-3H3,(H,18,21)(H,22,23)/b13-6+