2-[(E)-3-azanyl-2-methyl-3-oxidanylidene-prop-1-enyl]-5-methoxy-benzoic acid

Systemtic Name: 2-[(E)-3-azanyl-2-methyl-3-oxidanylidene-prop-1-enyl]-5-methoxy-benzoic acid Openeye Name: 2-[(E)-3-amino-2-methyl-3-oxo-prop-1-enyl]-5-methoxy-benzoic acid CAS Name: 2-[(E)-3-amino-2-methyl-3-oxoprop-1-enyl]-5-methoxybenzoic acid IUPAC Name: 2-[(E)-3-amino-2-methyl-3-oxoprop-1-enyl]-5-methoxybenzoic acid Traditional Name: 2-[(E)-3-amino-3-keto-2-methyl-prop-1-enyl]-5-methoxy-benzoic acid Formula: C12H13NO4 MolecularWeight: 235.23592

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=C(C=C(C=C1)OC)C(=O)O)C(=O)N

Isomeric SMILES

C/C(=C\C1=C(C=C(C=C1)OC)C(=O)O)/C(=O)N

InChI

InChI=1S/C12H13NO4/c1-7(11(13)14)5-8-3-4-9(17-2)6-10(8)12(15)16/h3-6H,1-2H3,(H2,13,14)(H,15,16)/b7-5+