(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(propan-2-ylcarbamoylamino)benzoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(propan-2-ylcarbamoylamino)benzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(isopropylcarbamoylamino)benzoate CAS Name: 2-[[oxo-(propan-2-ylamino)methyl]amino]benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(propan-2-ylcarbamoylamino)benzoate Traditional Name: 2-(isopropylcarbamoylamino)benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C20H21N3O7 MolecularWeight: 415.39664

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC1=CC=CC=C1C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

CC(C)NC(=O)NC1=CC=CC=C1C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

InChI=1S/C20H21N3O7/c1-12(2)21-20(25)22-17-6-4-3-5-16(17)19(24)29-10-14-8-15(23(26)27)7-13-9-28-11-30-18(13)14/h3-8,12H,9-11H2,1-2H3,(H2,21,22,25)