methyl 4-[[(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)carbonylamino]methyl]benzoate

Systemtic Name: methyl 4-[[(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)carbonylamino]methyl]benzoate Openeye Name: methyl 4-[[(6-nitro-2,3-dihydro-1,4-benzodioxine-7-carbonyl)amino]methyl]benzoate CAS Name: 4-[[[(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-oxomethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(6-nitro-2,3-dihydro-1,4-benzodioxine-7-carbonyl)amino]methyl]benzoate Traditional Name: 4-[[(6-nitro-2,3-dihydro-1,4-benzodioxin-7-carbonyl)amino]methyl]benzoic acid methyl ester Formula: C18H16N2O7 MolecularWeight: 372.32884

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3

InChI

InChI=1S/C18H16N2O7/c1-25-18(22)12-4-2-11(3-5-12)10-19-17(21)13-8-15-16(27-7-6-26-15)9-14(13)20(23)24/h2-5,8-9H,6-7,10H2,1H3,(H,19,21)