3-chloranyl-4-(3-chloranyl-2-nitro-phenyl)-1H-pyrrole; 2-phenylprop-2-enoic acid

Systemtic Name: 3-chloranyl-4-(3-chloranyl-2-nitro-phenyl)-1H-pyrrole; 2-phenylprop-2-enoic acid Openeye Name: 3-chloro-4-(3-chloro-2-nitro-phenyl)-1H-pyrrole; 2-phenylprop-2-enoic acid CAS Name: 3-chloro-4-(3-chloro-2-nitrophenyl)-1H-pyrrole; 2-phenyl-2-propenoic acid IUPAC Name: 3-chloro-4-(3-chloro-2-nitrophenyl)-1H-pyrrole; 2-phenylprop-2-enoic acid Traditional Name: atropic acid; 3-chloro-4-(3-chloro-2-nitro-phenyl)-1H-pyrrole Formula: C19H14Cl2N2O4 MolecularWeight: 405.23146

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C1=CC=CC=C1)C(=O)O.C1=CC(=C(C(=C1)Cl)[N+](=O)[O-])C2=CNC=C2Cl

Isomeric SMILES

C=C(C1=CC=CC=C1)C(=O)O.C1=CC(=C(C(=C1)Cl)[N+](=O)[O-])C2=CNC=C2Cl

InChI

InChI=1S/C10H6Cl2N2O2.C9H8O2/c11-8-3-1-2-6(10(8)14(15)16)7-4-13-5-9(7)12;1-7(9(10)11)8-5-3-2-4-6-8/h1-5,13H;2-6H,1H2,(H,10,11)