methyl 2-[5-chloranyl-4-[(3,4-dimethoxyphenyl)methylamino]-6-oxidanylidene-pyridazin-1-yl]benzoate

Systemtic Name: methyl 2-[5-chloranyl-4-[(3,4-dimethoxyphenyl)methylamino]-6-oxidanylidene-pyridazin-1-yl]benzoate Openeye Name: methyl 2-[5-chloro-4-[(3,4-dimethoxyphenyl)methylamino]-6-oxo-pyridazin-1-yl]benzoate CAS Name: 2-[5-chloro-4-[(3,4-dimethoxyphenyl)methylamino]-6-oxo-1-pyridazinyl]benzoic acid methyl ester IUPAC Name: methyl 2-[5-chloro-4-[(3,4-dimethoxyphenyl)methylamino]-6-oxopyridazin-1-yl]benzoate Traditional Name: 2-[5-chloro-6-keto-4-(veratrylamino)pyridazin-1-yl]benzoic acid methyl ester Formula: C21H20ClN3O5 MolecularWeight: 429.8536

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=C(C(=O)N(N=C2)C3=CC=CC=C3C(=O)OC)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=C(C(=O)N(N=C2)C3=CC=CC=C3C(=O)OC)Cl)OC

InChI

InChI=1S/C21H20ClN3O5/c1-28-17-9-8-13(10-18(17)29-2)11-23-15-12-24-25(20(26)19(15)22)16-7-5-4-6-14(16)21(27)30-3/h4-10,12,23H,11H2,1-3H3