(3-azanylidene-7-methoxy-1-oxidanidyl-1,2,4-benzotriazin-1-ium-4-yl) 3,4,5-trimethoxybenzoate

Systemtic Name: (3-azanylidene-7-methoxy-1-oxidanidyl-1,2,4-benzotriazin-1-ium-4-yl) 3,4,5-trimethoxybenzoate Openeye Name: (3-imino-7-methoxy-1-oxido-1,2,4-benzotriazin-1-ium-4-yl) 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic 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) 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid (3-imino-7-methoxy-1-oxido-1,2,4-benzotriazin-1-ium-4-yl) ester Formula: C18H18N4O7 MolecularWeight: 402.35812

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C(=N)N=[N+]2[O-])OC(=O)C3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

COC1=CC2=C(C=C1)N(C(=N)N=[N+]2[O-])OC(=O)C3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C18H18N4O7/c1-25-11-5-6-12-13(9-11)22(24)20-18(19)21(12)29-17(23)10-7-14(26-2)16(28-4)15(8-10)27-3/h5-9,19H,1-4H3