3-[(3E)-3-[(3-chloranyl-4-methyl-phenyl)hydrazinylidene]-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]propanoic acid

Systemtic Name: 3-[(3E)-3-[(3-chloranyl-4-methyl-phenyl)hydrazinylidene]-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]propanoic acid Openeye Name: 3-[(3E)-3-[(3-chloro-4-methyl-phenyl)hydrazono]-6-oxo-cyclohexa-1,4-dien-1-yl]propanoic acid CAS Name: 3-[(3E)-3-[(3-chloro-4-methylphenyl)hydrazinylidene]-6-oxo-1-cyclohexa-1,4-dienyl]propanoic acid IUPAC Name: 3-[(3E)-3-[(3-chloro-4-methylphenyl)hydrazinylidene]-6-oxocyclohexa-1,4-dien-1-yl]propanoic acid Traditional Name: 3-[(3E)-3-[(3-chloro-4-methyl-phenyl)hydrazono]-6-keto-cyclohexa-1,4-dien-1-yl]propionic acid Formula: C16H15ClN2O3 MolecularWeight: 318.7549

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NN=C2C=CC(=O)C(=C2)CCC(=O)O)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N/N=C/2\C=CC(=O)C(=C2)CCC(=O)O)Cl

InChI

InChI=1S/C16H15ClN2O3/c1-10-2-4-13(9-14(10)17)19-18-12-5-6-15(20)11(8-12)3-7-16(21)22/h2,4-6,8-9,19H,3,7H2,1H3,(H,21,22)/b18-12+