2-[6-azanyl-3-(1,3-benzodioxol-5-yl)-5-cyano-2'-oxidanylidene-spiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-1'-yl]ethanoic acid

Systemtic Name: 2-[6-azanyl-3-(1,3-benzodioxol-5-yl)-5-cyano-2'-oxidanylidene-spiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-1'-yl]ethanoic acid Openeye Name: 2-[6-amino-3-(1,3-benzodioxol-5-yl)-5-cyano-2'-oxo-spiro[2H-pyrano[2,3-c]pyrazole-4,3'-indoline]-1'-yl]acetic acid CAS Name: 2-[6-amino-3-(1,3-benzodioxol-5-yl)-5-cyano-2'-oxo-1'-spiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]yl]acetic acid IUPAC Name: 2-[6-amino-3-(1,3-benzodioxol-5-yl)-5-cyano-2'-oxospiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-1'-yl]acetic acid Traditional Name: 2-[6-amino-3-(1,3-benzodioxol-5-yl)-5-cyano-2'-keto-spiro[2H-pyrano[2,3-c]pyrazole-4,3'-indoline]-1'-yl]acetic acid Formula: C23H15N5O6 MolecularWeight: 457.3951

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=C4C(=NN3)OC(=C(C45C6=CC=CC=C6N(C5=O)CC(=O)O)C#N)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=C4C(=NN3)OC(=C(C45C6=CC=CC=C6N(C5=O)CC(=O)O)C#N)N

InChI

InChI=1S/C23H15N5O6/c24-8-13-20(25)34-21-18(19(26-27-21)11-5-6-15-16(7-11)33-10-32-15)23(13)12-3-1-2-4-14(12)28(22(23)31)9-17(29)30/h1-7H,9-10,25H2,(H,26,27)(H,29,30)