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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[(2-chlorophenyl)carbonylamino]-3-methyl-butanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[(2-chlorobenzoyl)amino]-3-methyl-butanoate CAS Name: 2-[[(2-chlorophenyl)-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-chlorobenzoyl)amino]-3-methylbutanoate Traditional Name: 2-[(2-chlorobenzoyl)amino]-3-methyl-butyric acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C21H21ClN2O7 MolecularWeight: 448.85364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=C2C(=CC(=C1)[N+](=O)[O-])COCO2)NC(=O)C3=CC=CC=C3Cl

Isomeric SMILES

CC(C)C(C(=O)OCC1=C2C(=CC(=C1)[N+](=O)[O-])COCO2)NC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C21H21ClN2O7/c1-12(2)18(23-20(25)16-5-3-4-6-17(16)22)21(26)30-10-14-8-15(24(27)28)7-13-9-29-11-31-19(13)14/h3-8,12,18H,9-11H2,1-2H3,(H,23,25)