(Z)-4-azanyl-4-oxidanylidene-2-(4-prop-2-enoxyphenyl)but-2-enoic acid

Systemtic Name: (Z)-4-azanyl-4-oxidanylidene-2-(4-prop-2-enoxyphenyl)but-2-enoic acid Openeye Name: (Z)-2-(4-allyloxyphenyl)-4-amino-4-oxo-but-2-enoic acid CAS Name: (Z)-4-amino-4-oxo-2-(4-prop-2-enoxyphenyl)-2-butenoic acid IUPAC Name: (Z)-4-amino-4-oxo-2-(4-prop-2-enoxyphenyl)but-2-enoic acid Traditional Name: (Z)-2-(4-allyloxyphenyl)-4-amino-4-keto-but-2-enoic acid Formula: C13H13NO4 MolecularWeight: 247.24662

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=C(C=C1)C(=CC(=O)N)C(=O)O

Isomeric SMILES

C=CCOC1=CC=C(C=C1)/C(=C/C(=O)N)/C(=O)O

InChI

InChI=1S/C13H13NO4/c1-2-7-18-10-5-3-9(4-6-10)11(13(16)17)8-12(14)15/h2-6,8H,1,7H2,(H2,14,15)(H,16,17)/b11-8-