O1-ethyl O3-[2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O1-ethyl O3-[2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-ethyl O3-[2-(4-methyl-2-nitro-anilino)-2-oxo-ethyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[2-(4-methyl-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: 1-O-ethyl 3-O-[2-(4-methyl-2-nitroanilino)-2-oxoethyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[2-keto-2-(4-methyl-2-nitro-anilino)ethyl] ester Formula: C19H17N3O9 MolecularWeight: 431.35298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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