dimethyl (E)-2-[(4-chloranyl-3-nitro-phenyl)amino]but-2-enedioate

Systemtic Name: dimethyl (E)-2-[(4-chloranyl-3-nitro-phenyl)amino]but-2-enedioate Openeye Name: dimethyl (E)-2-(4-chloro-3-nitro-anilino)but-2-enedioate CAS Name: (E)-2-(4-chloro-3-nitroanilino)-2-butenedioic acid dimethyl ester IUPAC Name: dimethyl (E)-2-(4-chloro-3-nitroanilino)but-2-enedioate Traditional Name: (E)-2-(4-chloro-3-nitro-anilino)but-2-enedioic acid dimethyl ester Formula: C12H11ClN2O6 MolecularWeight: 314.67854

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=C(C(=O)OC)NC1=CC(=C(C=C1)Cl)[N+](=O)[O-]

Isomeric SMILES

COC(=O)/C=C(\C(=O)OC)/NC1=CC(=C(C=C1)Cl)[N+](=O)[O-]

InChI

InChI=1S/C12H11ClN2O6/c1-20-11(16)6-9(12(17)21-2)14-7-3-4-8(13)10(5-7)15(18)19/h3-6,14H,1-2H3/b9-6+