(E)-4-oxidanylidene-4-(quinoxalin-6-ylamino)but-2-enoic acid

Systemtic Name: (E)-4-oxidanylidene-4-(quinoxalin-6-ylamino)but-2-enoic acid Openeye Name: (E)-4-oxo-4-(quinoxalin-6-ylamino)but-2-enoic acid CAS Name: (E)-4-oxo-4-(6-quinoxalinylamino)-2-butenoic acid IUPAC Name: (E)-4-oxo-4-(quinoxalin-6-ylamino)but-2-enoic acid Traditional Name: (E)-4-keto-4-(quinoxalin-6-ylamino)but-2-enoic acid Formula: C12H9N3O3 MolecularWeight: 243.21816

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NC=CN=C2C=C1NC(=O)C=CC(=O)O

Isomeric SMILES

C1=CC2=NC=CN=C2C=C1NC(=O)/C=C/C(=O)O

InChI

InChI=1S/C12H9N3O3/c16-11(3-4-12(17)18)15-8-1-2-9-10(7-8)14-6-5-13-9/h1-7H,(H,15,16)(H,17,18)/b4-3+