(3-azanylidene-7-methoxy-1-oxidanidyl-1,2,4-benzotriazin-1-ium-4-yl) propanoate

Systemtic Name: (3-azanylidene-7-methoxy-1-oxidanidyl-1,2,4-benzotriazin-1-ium-4-yl) propanoate Openeye Name: (3-imino-7-methoxy-1-oxido-1,2,4-benzotriazin-1-ium-4-yl) propanoate CAS Name: propanoic acid (3-imino-7-methoxy-1-oxido-1,2,4-benzotriazin-1-ium-4-yl) ester IUPAC Name: (3-imino-7-methoxy-1-oxido-1,2,4-benzotriazin-1-ium-4-yl) propanoate Traditional Name: propionic acid (3-imino-7-methoxy-1-oxido-1,2,4-benzotriazin-1-ium-4-yl) ester Formula: C11H12N4O4 MolecularWeight: 264.23738

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)ON1C2=C(C=C(C=C2)OC)[N+](=NC1=N)[O-]

Isomeric SMILES

CCC(=O)ON1C2=C(C=C(C=C2)OC)[N+](=NC1=N)[O-]

InChI

InChI=1S/C11H12N4O4/c1-3-10(16)19-14-8-5-4-7(18-2)6-9(8)15(17)13-11(14)12/h4-6,12H,3H2,1-2H3