(E)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-4-oxo-but-2-enoic acid CAS Name: (E)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-4-oxo-2-butenoic acid IUPAC Name: (E)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-4-oxobut-2-enoic acid Traditional Name: (E)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-4-keto-but-2-enoic acid Formula: C13H13NO5 MolecularWeight: 263.24602

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)C=CC(=O)O)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)/C=C/C(=O)O)OC1

InChI

InChI=1S/C13H13NO5/c15-12(4-5-13(16)17)14-9-2-3-10-11(8-9)19-7-1-6-18-10/h2-5,8H,1,6-7H2,(H,14,15)(H,16,17)/b5-4+