1,2-benzoxazole; (E)-4-oxidanylidene-4-(pyridin-4-ylamino)oxy-but-2-enoate

Systemtic Name: 1,2-benzoxazole; (E)-4-oxidanylidene-4-(pyridin-4-ylamino)oxy-but-2-enoate Openeye Name: 1,2-benzoxazole; (E)-4-oxo-4-(4-pyridylamino)oxy-but-2-enoate CAS Name: 1,2-benzoxazole; (E)-4-oxo-4-(pyridin-4-ylamino)oxy-2-butenoate IUPAC Name: 1,2-benzoxazole; (E)-4-oxo-4-(pyridin-4-ylamino)oxybut-2-enoate Traditional Name: indoxazene; (E)-4-keto-4-(4-pyridylamino)oxy-but-2-enoate Formula: C16H12N3O5- MolecularWeight: 326.28358

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=NO2.C1=CN=CC=C1NOC(=O)C=CC(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=NO2.C1=CN=CC=C1NOC(=O)/C=C/C(=O)[O-]

InChI

InChI=1S/C9H8N2O4.C7H5NO/c12-8(13)1-2-9(14)15-11-7-3-5-10-6-4-7;1-2-4-7-6(3-1)5-8-9-7/h1-6H,(H,10,11)(H,12,13);1-5H/p-1/b2-1+;