O3-[2-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-2-oxidanylidene-ethyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O3-[2-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-2-oxidanylidene-ethyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxo-ethyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] ester O1-ethyl ester IUPAC Name: 3-O-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] 1-O-ethyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-keto-ethyl] ester O1-ethyl ester Formula: C21H18N2O10 MolecularWeight: 458.37502

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC(=O)NC2=CC3=C(C=C2C(=O)C)OCO3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC(=O)NC2=CC3=C(C=C2C(=O)C)OCO3)[N+](=O)[O-]

InChI

InChI=1S/C21H18N2O10/c1-3-30-20(26)12-4-13(6-14(5-12)23(28)29)21(27)31-9-19(25)22-16-8-18-17(32-10-33-18)7-15(16)11(2)24/h4-8H,3,9-10H2,1-2H3,(H,22,25)