4-methyl-2-[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methylamino]pentanoic acid

Systemtic Name: 4-methyl-2-[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methylamino]pentanoic acid Openeye Name: 4-methyl-2-[(4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]pentanoic acid CAS Name: 4-methyl-2-[(4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]pentanoic acid IUPAC Name: 4-methyl-2-[(4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]pentanoic acid Traditional Name: 2-[(4-ketocyclohexa-2,5-dien-1-ylidene)methylamino]-4-methyl-valeric acid Formula: C13H17NO3 MolecularWeight: 235.27898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC=C1C=CC(=O)C=C1

Isomeric SMILES

CC(C)CC(C(=O)O)NC=C1C=CC(=O)C=C1

InChI

InChI=1S/C13H17NO3/c1-9(2)7-12(13(16)17)14-8-10-3-5-11(15)6-4-10/h3-6,8-9,12,14H,7H2,1-2H3,(H,16,17)