[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxidanylidene-ethyl] 4-methyl-3-nitro-benzoate

Systemtic Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxidanylidene-ethyl] 4-methyl-3-nitro-benzoate Openeye Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxo-ethyl] 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid [2-[[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl] 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid [2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-keto-ethyl] ester Formula: C19H17N3O8 MolecularWeight: 415.35358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC(=O)NC2=CC3=C(C=C2)OCCO3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC(=O)NC2=CC3=C(C=C2)OCCO3)[N+](=O)[O-]

InChI

InChI=1S/C19H17N3O8/c1-11-2-3-12(8-14(11)22(26)27)18(24)30-10-17(23)21-19(25)20-13-4-5-15-16(9-13)29-7-6-28-15/h2-5,8-9H,6-7,10H2,1H3,(H2,20,21,23,25)