(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[(2-ethoxyphenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[(2-ethoxyphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[(2-ethoxybenzoyl)amino]-3-methyl-butanoate CAS Name: 2-[[(2-ethoxyphenyl)-oxomethyl]amino]-3-methylbutanoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[(2-ethoxybenzoyl)amino]-3-methylbutanoate Traditional Name: 2-[(2-ethoxybenzoyl)amino]-3-methyl-butyric acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C23H26N2O8 MolecularWeight: 458.46114

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(=O)NC(C(C)C)C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

CCOC1=CC=CC=C1C(=O)NC(C(C)C)C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

InChI=1S/C23H26N2O8/c1-4-31-19-8-6-5-7-18(19)22(26)24-20(14(2)3)23(27)32-12-16-10-17(25(28)29)9-15-11-30-13-33-21(15)16/h5-10,14,20H,4,11-13H2,1-3H3,(H,24,26)