4-[[(E)-1-(2-hydroxyethylamino)-4-methoxy-1,4-bis(oxidanylidene)but-2-en-2-yl]amino]benzoate

Systemtic Name: 4-[[(E)-1-(2-hydroxyethylamino)-4-methoxy-1,4-bis(oxidanylidene)but-2-en-2-yl]amino]benzoate Openeye Name: 4-[[(E)-1-(2-hydroxyethylcarbamoyl)-3-methoxy-3-oxo-prop-1-enyl]amino]benzoate CAS Name: 4-[[(E)-1-(2-hydroxyethylamino)-4-methoxy-1,4-dioxobut-2-en-2-yl]amino]benzoate IUPAC Name: 4-[[(E)-1-(2-hydroxyethylamino)-4-methoxy-1,4-dioxobut-2-en-2-yl]amino]benzoate Traditional Name: 4-[[(E)-1-(2-hydroxyethylcarbamoyl)-3-keto-3-methoxy-prop-1-enyl]amino]benzoate Formula: C14H15N2O6- MolecularWeight: 307.2787

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=C(C(=O)NCCO)NC1=CC=C(C=C1)C(=O)[O-]

Isomeric SMILES

COC(=O)/C=C(\C(=O)NCCO)/NC1=CC=C(C=C1)C(=O)[O-]

InChI

InChI=1S/C14H16N2O6/c1-22-12(18)8-11(13(19)15-6-7-17)16-10-4-2-9(3-5-10)14(20)21/h2-5,8,16-17H,6-7H2,1H3,(H,15,19)(H,20,21)/p-1/b11-8+