2-[[2-[2-[2-[bis(carboxymethyl)amino]-5-[methoxy-(6-nitro-1,3-benzodioxol-5-yl)methyl]phenoxy]ethoxy]-4-methyl-phenyl]-(carboxymethyl)amino]ethanoic acid

Systemtic Name: 2-[[2-[2-[2-[bis(carboxymethyl)amino]-5-[methoxy-(6-nitro-1,3-benzodioxol-5-yl)methyl]phenoxy]ethoxy]-4-methyl-phenyl]-(carboxymethyl)amino]ethanoic acid Openeye Name: 2-[2-[2-[2-[bis(carboxymethyl)amino]-5-[methoxy-(6-nitro-1,3-benzodioxol-5-yl)methyl]phenoxy]ethoxy]-N-(carboxymethyl)-4-methyl-anilino]acetic acid CAS Name: 2-[2-[2-[2-[bis(carboxymethyl)amino]-5-[methoxy-(6-nitro-1,3-benzodioxol-5-yl)methyl]phenoxy]ethoxy]-N-(carboxymethyl)-4-methylanilino]acetic acid IUPAC Name: 2-[2-[2-[2-[bis(carboxymethyl)amino]-5-[methoxy-(6-nitro-1,3-benzodioxol-5-yl)methyl]phenoxy]ethoxy]-N-(carboxymethyl)-4-methylanilino]acetic acid Traditional Name: 2-[2-[2-[2-[bis(carboxymethyl)amino]-5-[methoxy-(6-nitro-1,3-benzodioxol-5-yl)methyl]phenoxy]ethoxy]-N-(carboxymethyl)-4-methyl-anilino]acetic acid Formula: C32H33N3O15 MolecularWeight: 699.61552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N(CC(=O)O)CC(=O)O)OCCOC2=C(C=CC(=C2)C(C3=CC4=C(C=C3[N+](=O)[O-])OCO4)OC)N(CC(=O)O)CC(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)N(CC(=O)O)CC(=O)O)OCCOC2=C(C=CC(=C2)C(C3=CC4=C(C=C3[N+](=O)[O-])OCO4)OC)N(CC(=O)O)CC(=O)O

InChI

InChI=1S/C32H33N3O15/c1-18-3-5-21(33(13-28(36)37)14-29(38)39)24(9-18)47-7-8-48-25-10-19(4-6-22(25)34(15-30(40)41)16-31(42)43)32(46-2)20-11-26-27(50-17-49-26)12-23(20)35(44)45/h3-6,9-12,32H,7-8,13-17H2,1-2H3,(H,36,37)(H,38,39)(H,40,41)(H,42,43)