methyl 3-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl]-ethyl-carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl]-ethyl-carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-ethyl]-ethyl-carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-ethylamino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-ethylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-ethyl]-ethyl-carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C21H21N3O8 MolecularWeight: 443.40674

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NC1=CC2=C(C=C1)OCCO2)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CCN(CC(=O)NC1=CC2=C(C=C1)OCCO2)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C21H21N3O8/c1-3-23(12-19(25)22-15-4-5-17-18(11-15)32-7-6-31-17)20(26)13-8-14(21(27)30-2)10-16(9-13)24(28)29/h4-5,8-11H,3,6-7,12H2,1-2H3,(H,22,25)