6-azanyl-4-(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

Systemtic Name: 6-azanyl-4-(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Openeye Name: 6-amino-4-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile CAS Name: 6-amino-4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile IUPAC Name: 6-amino-4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Traditional Name: 6-amino-4-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Formula: C17H17BrN4O4 MolecularWeight: 421.24528

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C2C(=C(OC3=NNC(=C23)COC)N)C#N)Br)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C2C(=C(OC3=NNC(=C23)COC)N)C#N)Br)O

InChI

InChI=1S/C17H17BrN4O4/c1-3-25-12-5-8(4-10(18)15(12)23)13-9(6-19)16(20)26-17-14(13)11(7-24-2)21-22-17/h4-5,13,23H,3,7,20H2,1-2H3,(H,21,22)