4-(4-oxidanylidenepentan-2-ylideneamino)benzoic acid

Systemtic Name: 4-(4-oxidanylidenepentan-2-ylideneamino)benzoic acid Openeye Name: 4-[(1-methyl-3-oxo-butylidene)amino]benzoic acid CAS Name: 4-(4-oxopentan-2-ylideneamino)benzoic acid IUPAC Name: 4-(4-oxopentan-2-ylideneamino)benzoic acid Traditional Name: 4-[(3-keto-1-methyl-butylidene)amino]benzoic acid Formula: C12H13NO3 MolecularWeight: 219.23652

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NC1=CC=C(C=C1)C(=O)O)CC(=O)C

Isomeric SMILES

CC(=NC1=CC=C(C=C1)C(=O)O)CC(=O)C

InChI

InChI=1S/C12H13NO3/c1-8(7-9(2)14)13-11-5-3-10(4-6-11)12(15)16/h3-6H,7H2,1-2H3,(H,15,16)