7-[(E)-3-ethoxy-3-oxidanylidene-prop-1-enyl]-4-(phenylmethyl)-2,3-dihydroquinoxaline-1-carboxylic acid

Systemtic Name: 7-[(E)-3-ethoxy-3-oxidanylidene-prop-1-enyl]-4-(phenylmethyl)-2,3-dihydroquinoxaline-1-carboxylic acid Openeye Name: 4-benzyl-7-[(E)-3-ethoxy-3-oxo-prop-1-enyl]-2,3-dihydroquinoxaline-1-carboxylic acid CAS Name: 7-[(E)-3-ethoxy-3-oxoprop-1-enyl]-4-(phenylmethyl)-2,3-dihydroquinoxaline-1-carboxylic acid IUPAC Name: 4-benzyl-7-[(E)-3-ethoxy-3-oxoprop-1-enyl]-2,3-dihydroquinoxaline-1-carboxylic acid Traditional Name: 4-benzyl-7-[(E)-3-ethoxy-3-keto-prop-1-enyl]-2,3-dihydroquinoxaline-1-carboxylic acid Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=CC2=C(C=C1)N(CCN2C(=O)O)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)/C=C/C1=CC2=C(C=C1)N(CCN2C(=O)O)CC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O4/c1-2-27-20(24)11-9-16-8-10-18-19(14-16)23(21(25)26)13-12-22(18)15-17-6-4-3-5-7-17/h3-11,14H,2,12-13,15H2,1H3,(H,25,26)/b11-9+