2-[(7-methyl-1-oxidanidyl-3-oxidanylidene-1,2,4-benzotriazin-1-ium-4-yl)methoxy]ethyl ethanoate

Systemtic Name: 2-[(7-methyl-1-oxidanidyl-3-oxidanylidene-1,2,4-benzotriazin-1-ium-4-yl)methoxy]ethyl ethanoate Openeye Name: 2-[(7-methyl-1-oxido-3-oxo-1,2,4-benzotriazin-1-ium-4-yl)methoxy]ethyl acetate CAS Name: acetic acid 2-[(7-methyl-1-oxido-3-oxo-1,2,4-benzotriazin-1-ium-4-yl)methoxy]ethyl ester IUPAC Name: 2-[(7-methyl-1-oxido-3-oxo-1,2,4-benzotriazin-1-ium-4-yl)methoxy]ethyl acetate Traditional Name: acetic acid 2-[(3-keto-7-methyl-1-oxido-1,2,4-benzotriazin-1-ium-4-yl)methoxy]ethyl ester Formula: C13H15N3O5 MolecularWeight: 293.2753

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=O)N=[N+]2[O-])COCCOC(=O)C

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=O)N=[N+]2[O-])COCCOC(=O)C

InChI

InChI=1S/C13H15N3O5/c1-9-3-4-11-12(7-9)16(19)14-13(18)15(11)8-20-5-6-21-10(2)17/h3-4,7H,5-6,8H2,1-2H3