2-chloranyl-5-[4-[(E)-indol-3-ylidenemethyl]-3-methyl-5-oxidanidyl-pyrazol-1-yl]benzoate

Systemtic Name: 2-chloranyl-5-[4-[(E)-indol-3-ylidenemethyl]-3-methyl-5-oxidanidyl-pyrazol-1-yl]benzoate Openeye Name: 2-chloro-5-[4-[(E)-indol-3-ylidenemethyl]-3-methyl-5-oxido-pyrazol-1-yl]benzoate CAS Name: 2-chloro-5-[4-[(E)-3-indolylidenemethyl]-3-methyl-5-oxido-1-pyrazolyl]benzoate IUPAC Name: 2-chloro-5-[4-[(E)-indol-3-ylidenemethyl]-3-methyl-5-oxidopyrazol-1-yl]benzoate Traditional Name: 2-chloro-5-[4-[(E)-indol-3-ylidenemethyl]-3-methyl-5-oxido-pyrazol-1-yl]benzoate Formula: C20H12ClN3O3-2 MolecularWeight: 377.78058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=C2C=NC3=CC=CC=C32)[O-])C4=CC(=C(C=C4)Cl)C(=O)[O-]

Isomeric SMILES

CC1=NN(C(=C1/C=C\2/C=NC3=CC=CC=C32)[O-])C4=CC(=C(C=C4)Cl)C(=O)[O-]

InChI

InChI=1S/C20H14ClN3O3/c1-11-15(8-12-10-22-18-5-3-2-4-14(12)18)19(25)24(23-11)13-6-7-17(21)16(9-13)20(26)27/h2-10,25H,1H3,(H,26,27)/p-2/b12-8-