2-[2-(6-azanyl-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)-4-bromanyl-phenoxy]ethanoic acid

Systemtic Name: 2-[2-(6-azanyl-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)-4-bromanyl-phenoxy]ethanoic acid Openeye Name: 2-[2-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)-4-bromo-phenoxy]acetic acid CAS Name: 2-[2-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)-4-bromophenoxy]acetic acid IUPAC Name: 2-[2-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)-4-bromophenoxy]acetic acid Traditional Name: 2-[2-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)-4-bromo-phenoxy]acetic acid Formula: C16H13BrN4O4 MolecularWeight: 405.20282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(C(=C(OC2=NN1)N)C#N)C3=C(C=CC(=C3)Br)OCC(=O)O

Isomeric SMILES

CC1=C2C(C(=C(OC2=NN1)N)C#N)C3=C(C=CC(=C3)Br)OCC(=O)O

InChI

InChI=1S/C16H13BrN4O4/c1-7-13-14(10(5-18)15(19)25-16(13)21-20-7)9-4-8(17)2-3-11(9)24-6-12(22)23/h2-4,14H,6,19H2,1H3,(H,20,21)(H,22,23)