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

Systemtic Name: O1-ethyl O3-[2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-ethyl O3-[2-(2-methyl-5-nitro-anilino)-2-oxo-ethyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[2-(2-methyl-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: 1-O-ethyl 3-O-[2-(2-methyl-5-nitroanilino)-2-oxoethyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[2-keto-2-(2-methyl-5-nitro-anilino)ethyl] ester Formula: C19H17N3O9 MolecularWeight: 431.35298

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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)[N+](=O)[O-])C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3O9/c1-3-30-18(24)12-6-13(8-15(7-12)22(28)29)19(25)31-10-17(23)20-16-9-14(21(26)27)5-4-11(16)2/h4-9H,3,10H2,1-2H3,(H,20,23)