4-(4-chloranyl-2-nitro-phenyl)-1-ethanoyl-3H-pyrrole-2,2-dicarboxylic acid

Systemtic Name: 4-(4-chloranyl-2-nitro-phenyl)-1-ethanoyl-3H-pyrrole-2,2-dicarboxylic acid Openeye Name: 1-acetyl-4-(4-chloro-2-nitro-phenyl)-3H-pyrrole-2,2-dicarboxylic acid CAS Name: 1-acetyl-4-(4-chloro-2-nitrophenyl)-3H-pyrrole-2,2-dicarboxylic acid IUPAC Name: 1-acetyl-4-(4-chloro-2-nitrophenyl)-3H-pyrrole-2,2-dicarboxylic acid Traditional Name: 1-acetyl-4-(4-chloro-2-nitro-phenyl)-2-pyrroline-2,2-dicarboxylic acid Formula: C14H11ClN2O7 MolecularWeight: 354.69934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=C(CC1(C(=O)O)C(=O)O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1C=C(CC1(C(=O)O)C(=O)O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C14H11ClN2O7/c1-7(18)16-6-8(5-14(16,12(19)20)13(21)22)10-3-2-9(15)4-11(10)17(23)24/h2-4,6H,5H2,1H3,(H,19,20)(H,21,22)