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

Systemtic Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxidanylidene-ethyl] 3-nitrobenzoate Openeye Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxo-ethyl] 3-nitrobenzoate CAS Name: 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] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-keto-ethyl] ester Formula: C18H15N3O8 MolecularWeight: 401.327

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC(=O)NC(=O)COC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC(=O)NC(=O)COC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O8/c22-16(10-29-17(23)11-2-1-3-13(8-11)21(25)26)20-18(24)19-12-4-5-14-15(9-12)28-7-6-27-14/h1-5,8-9H,6-7,10H2,(H2,19,20,22,24)