2-[(E)-3-azanyl-2-methyl-3-oxidanylidene-prop-1-enyl]-6-methyl-benzoic acid

Systemtic Name: 2-[(E)-3-azanyl-2-methyl-3-oxidanylidene-prop-1-enyl]-6-methyl-benzoic acid Openeye Name: 2-[(E)-3-amino-2-methyl-3-oxo-prop-1-enyl]-6-methyl-benzoic acid CAS Name: 2-[(E)-3-amino-2-methyl-3-oxoprop-1-enyl]-6-methylbenzoic acid IUPAC Name: 2-[(E)-3-amino-2-methyl-3-oxoprop-1-enyl]-6-methylbenzoic acid Traditional Name: 2-[(E)-3-amino-3-keto-2-methyl-prop-1-enyl]-6-methyl-benzoic acid Formula: C12H13NO3 MolecularWeight: 219.23652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1C(=O)O)C=C(C)C(=O)N

Isomeric SMILES

CC1=CC=CC(=C1C(=O)O)/C=C(\C)/C(=O)N

InChI

InChI=1S/C12H13NO3/c1-7-4-3-5-9(10(7)12(15)16)6-8(2)11(13)14/h3-6H,1-2H3,(H2,13,14)(H,15,16)/b8-6+