(E)-4-azanyl-3-ethoxycarbonyl-2-oxidanylidene-4-phenyl-but-3-enoic acid

Systemtic Name: (E)-4-azanyl-3-ethoxycarbonyl-2-oxidanylidene-4-phenyl-but-3-enoic acid Openeye Name: (E)-4-amino-3-ethoxycarbonyl-2-oxo-4-phenyl-but-3-enoic acid CAS Name: (E)-4-amino-3-ethoxycarbonyl-2-oxo-4-phenyl-3-butenoic acid IUPAC Name: (E)-4-amino-3-ethoxycarbonyl-2-oxo-4-phenylbut-3-enoic acid Traditional Name: (E)-4-amino-3-carbethoxy-2-keto-4-phenyl-but-3-enoic acid Formula: C13H13NO5 MolecularWeight: 263.24602

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(C1=CC=CC=C1)N)C(=O)C(=O)O

Isomeric SMILES

CCOC(=O)/C(=C(\C1=CC=CC=C1)/N)/C(=O)C(=O)O

InChI

InChI=1S/C13H13NO5/c1-2-19-13(18)9(11(15)12(16)17)10(14)8-6-4-3-5-7-8/h3-7H,2,14H2,1H3,(H,16,17)/b10-9+