5-azanyl-1,3-bis(1,3-benzodioxol-5-yl)-2,3-dihydro-1H-indene-2-carboxylic acid

Systemtic Name: 5-azanyl-1,3-bis(1,3-benzodioxol-5-yl)-2,3-dihydro-1H-indene-2-carboxylic acid Openeye Name: 5-amino-1,3-bis(1,3-benzodioxol-5-yl)indane-2-carboxylic acid CAS Name: 5-amino-1,3-bis(1,3-benzodioxol-5-yl)-2,3-dihydro-1H-indene-2-carboxylic acid IUPAC Name: 5-amino-1,3-bis(1,3-benzodioxol-5-yl)-2,3-dihydro-1H-indene-2-carboxylic acid Traditional Name: 5-amino-1,3-bis(1,3-benzodioxol-5-yl)indane-2-carboxylic acid Formula: C24H19NO6 MolecularWeight: 417.41076

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3C(C(C4=C3C=CC(=C4)N)C5=CC6=C(C=C5)OCO6)C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3C(C(C4=C3C=CC(=C4)N)C5=CC6=C(C=C5)OCO6)C(=O)O

InChI

InChI=1S/C24H19NO6/c25-14-3-4-15-16(9-14)22(13-2-6-18-20(8-13)31-11-29-18)23(24(26)27)21(15)12-1-5-17-19(7-12)30-10-28-17/h1-9,21-23H,10-11,25H2,(H,26,27)