5-azanyl-1-(3,4,5-trimethoxyphenyl)carbonyl-pyrazole-4-carbonitrile

Systemtic Name: 5-azanyl-1-(3,4,5-trimethoxyphenyl)carbonyl-pyrazole-4-carbonitrile Openeye Name: 5-amino-1-(3,4,5-trimethoxybenzoyl)pyrazole-4-carbonitrile CAS Name: 5-amino-1-[oxo-(3,4,5-trimethoxyphenyl)methyl]-4-pyrazolecarbonitrile IUPAC Name: 5-amino-1-(3,4,5-trimethoxybenzoyl)pyrazole-4-carbonitrile Traditional Name: 5-amino-1-(3,4,5-trimethoxybenzoyl)pyrazole-4-carbonitrile Formula: C14H14N4O4 MolecularWeight: 302.28536

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)N2C(=C(C=N2)C#N)N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)N2C(=C(C=N2)C#N)N

InChI

InChI=1S/C14H14N4O4/c1-20-10-4-8(5-11(21-2)12(10)22-3)14(19)18-13(16)9(6-15)7-17-18/h4-5,7H,16H2,1-3H3