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

Systemtic Name: 4-(2-azanyl-4-chloranyl-phenyl)-1-ethanoyl-3H-pyrrole-2,2-dicarboxylic acid Openeye Name: 1-acetyl-4-(2-amino-4-chloro-phenyl)-3H-pyrrole-2,2-dicarboxylic acid CAS Name: 1-acetyl-4-(2-amino-4-chlorophenyl)-3H-pyrrole-2,2-dicarboxylic acid IUPAC Name: 1-acetyl-4-(2-amino-4-chlorophenyl)-3H-pyrrole-2,2-dicarboxylic acid Traditional Name: 1-acetyl-4-(2-amino-4-chloro-phenyl)-2-pyrroline-2,2-dicarboxylic acid Formula: C14H13ClN2O5 MolecularWeight: 324.71642

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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

Isomeric SMILES

CC(=O)N1C=C(CC1(C(=O)O)C(=O)O)C2=C(C=C(C=C2)Cl)N

InChI

InChI=1S/C14H13ClN2O5/c1-7(18)17-6-8(5-14(17,12(19)20)13(21)22)10-3-2-9(15)4-11(10)16/h2-4,6H,5,16H2,1H3,(H,19,20)(H,21,22)