O1-ethyl O4-[(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl] (E)-but-2-enedioate

Systemtic Name: O1-ethyl O4-[(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl] (E)-but-2-enedioate Openeye Name: O1-ethyl O4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl] (E)-but-2-enedioate CAS Name: (E)-2-butenedioic acid O1-ethyl ester O4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl] ester IUPAC Name: 1-O-ethyl 4-O-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl] (E)-but-2-enedioate Traditional Name: (E)-but-2-enedioic acid O1-ethyl ester O4-[(4-keto-1,2,3-benzotriazin-3-yl)methyl] ester Formula: C14H13N3O5 MolecularWeight: 303.27012

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)OCN1C(=O)C2=CC=CC=C2N=N1

Isomeric SMILES

CCOC(=O)/C=C/C(=O)OCN1C(=O)C2=CC=CC=C2N=N1

InChI

InChI=1S/C14H13N3O5/c1-2-21-12(18)7-8-13(19)22-9-17-14(20)10-5-3-4-6-11(10)15-16-17/h3-8H,2,9H2,1H3/b8-7+