(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-(phenylcarbamoylamino)propanoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-(phenylcarbamoylamino)propanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-(phenylcarbamoylamino)propanoate CAS Name: 3-[[anilino(oxo)methyl]amino]propanoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-(phenylcarbamoylamino)propanoate Traditional Name: 3-(phenylcarbamoylamino)propionic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C19H19N3O7 MolecularWeight: 401.37006

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)CCNC(=O)NC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)CCNC(=O)NC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O7/c23-17(6-7-20-19(24)21-15-4-2-1-3-5-15)28-11-14-9-16(22(25)26)8-13-10-27-12-29-18(13)14/h1-5,8-9H,6-7,10-12H2,(H2,20,21,24)