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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3

InChI

InChI=1S/C18H16N2O7/c1-10-3-4-11(18(22)25-2)7-13(10)19-17(21)12-8-15-16(27-6-5-26-15)9-14(12)20(23)24/h3-4,7-9H,5-6H2,1-2H3,(H,19,21)