3-chloranyl-4-(3-chloranyl-2-nitro-phenyl)-1H-pyrrole; (E)-3-(4-hydroxyphenyl)prop-2-enal

Systemtic Name: 3-chloranyl-4-(3-chloranyl-2-nitro-phenyl)-1H-pyrrole; (E)-3-(4-hydroxyphenyl)prop-2-enal Openeye Name: 3-chloro-4-(3-chloro-2-nitro-phenyl)-1H-pyrrole; (E)-3-(4-hydroxyphenyl)prop-2-enal CAS Name: 3-chloro-4-(3-chloro-2-nitrophenyl)-1H-pyrrole; (E)-3-(4-hydroxyphenyl)-2-propenal IUPAC Name: 3-chloro-4-(3-chloro-2-nitrophenyl)-1H-pyrrole; (E)-3-(4-hydroxyphenyl)prop-2-enal Traditional Name: 3-chloro-4-(3-chloro-2-nitro-phenyl)-1H-pyrrole; (E)-3-(4-hydroxyphenyl)acrolein Formula: C19H14Cl2N2O4 MolecularWeight: 405.23146

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)[N+](=O)[O-])C2=CNC=C2Cl.C1=CC(=CC=C1C=CC=O)O

Isomeric SMILES

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

InChI

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