[2-[(4-ethanoyl-3-ethoxycarbonyl-5-methyl-furan-2-yl)amino]-2-oxidanylidene-ethyl] 6-nitro-1,3-benzodioxole-5-carboxylate

Systemtic Name: [2-[(4-ethanoyl-3-ethoxycarbonyl-5-methyl-furan-2-yl)amino]-2-oxidanylidene-ethyl] 6-nitro-1,3-benzodioxole-5-carboxylate Openeye Name: [2-[(4-acetyl-3-ethoxycarbonyl-5-methyl-2-furyl)amino]-2-oxo-ethyl] 6-nitro-1,3-benzodioxole-5-carboxylate CAS Name: 6-nitro-1,3-benzodioxole-5-carboxylic acid [2-[(4-acetyl-3-ethoxycarbonyl-5-methyl-2-furanyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(4-acetyl-3-ethoxycarbonyl-5-methylfuran-2-yl)amino]-2-oxoethyl] 6-nitro-1,3-benzodioxole-5-carboxylate Traditional Name: 6-nitro-piperonylic acid [2-[(4-acetyl-3-carbethoxy-5-methyl-2-furyl)amino]-2-keto-ethyl] ester Formula: C20H18N2O11 MolecularWeight: 462.36372

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C1C(=O)C)C)NC(=O)COC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCO3

Isomeric SMILES

CCOC(=O)C1=C(OC(=C1C(=O)C)C)NC(=O)COC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCO3

InChI

InChI=1S/C20H18N2O11/c1-4-29-20(26)17-16(9(2)23)10(3)33-18(17)21-15(24)7-30-19(25)11-5-13-14(32-8-31-13)6-12(11)22(27)28/h5-6H,4,7-8H2,1-3H3,(H,21,24)