(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-[2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethoxy]benzoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-[2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethoxy]benzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-[2-(3-methoxyanilino)-2-oxo-ethoxy]benzoate CAS Name: 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate Traditional Name: 4-[2-keto-2-(m-anisidino)ethoxy]benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C25H22N2O9 MolecularWeight: 494.45018

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)COC2=CC=C(C=C2)C(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)COC2=CC=C(C=C2)C(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

InChI

InChI=1S/C25H22N2O9/c1-32-22-4-2-3-19(11-22)26-23(28)14-34-21-7-5-16(6-8-21)25(29)35-13-18-10-20(27(30)31)9-17-12-33-15-36-24(17)18/h2-11H,12-15H2,1H3,(H,26,28)