O1-ethyl O3-[2-[(5-methoxycarbonyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O1-ethyl O3-[2-[(5-methoxycarbonyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-ethyl O3-[2-(5-methoxycarbonyl-2-methyl-anilino)-2-oxo-ethyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[2-(5-methoxycarbonyl-2-methylanilino)-2-oxoethyl] ester IUPAC Name: 1-O-ethyl 3-O-[2-(5-methoxycarbonyl-2-methylanilino)-2-oxoethyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-(5-carbomethoxy-2-methyl-anilino)-2-keto-ethyl] ester O1-ethyl ester Formula: C21H20N2O9 MolecularWeight: 444.3915

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC(=O)NC2=C(C=CC(=C2)C(=O)OC)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC(=O)NC2=C(C=CC(=C2)C(=O)OC)C)[N+](=O)[O-]

InChI

InChI=1S/C21H20N2O9/c1-4-31-20(26)14-7-15(9-16(8-14)23(28)29)21(27)32-11-18(24)22-17-10-13(19(25)30-3)6-5-12(17)2/h5-10H,4,11H2,1-3H3,(H,22,24)