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

Systemtic Name: O1-methyl O3-[2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-methyl O3-[2-(4-methyl-3-nitro-anilino)-2-oxo-ethyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-methyl ester O3-[2-(4-methyl-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: 1-O-methyl 3-O-[2-(4-methyl-3-nitroanilino)-2-oxoethyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-keto-2-(4-methyl-3-nitro-anilino)ethyl] ester O1-methyl ester Formula: C18H15N3O9 MolecularWeight: 417.3264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O9/c1-10-3-4-13(8-15(10)21(27)28)19-16(22)9-30-18(24)12-5-11(17(23)29-2)6-14(7-12)20(25)26/h3-8H,9H2,1-2H3,(H,19,22)