(E)-4-[(3-methoxyphenyl)methylamino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[(3-methoxyphenyl)methylamino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[(3-methoxyphenyl)methylamino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[(3-methoxyphenyl)methylamino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[(3-methoxyphenyl)methylamino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-keto-4-(m-anisylamino)but-2-enoic acid Formula: C12H13NO4 MolecularWeight: 235.23592

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNC(=O)C=CC(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)CNC(=O)/C=C/C(=O)O

InChI

InChI=1S/C12H13NO4/c1-17-10-4-2-3-9(7-10)8-13-11(14)5-6-12(15)16/h2-7H,8H2,1H3,(H,13,14)(H,15,16)/b6-5+