(E)-3-(4-chloranyl-3-nitro-phenyl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]prop-2-enamide

Systemtic Name: (E)-3-(4-chloranyl-3-nitro-phenyl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]prop-2-enamide Openeye Name: (E)-3-(4-chloro-3-nitro-phenyl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]prop-2-enamide CAS Name: (E)-3-(4-chloro-3-nitrophenyl)-N-[4-(1-pyrrolidinylmethyl)phenyl]-2-propenamide IUPAC Name: (E)-3-(4-chloro-3-nitrophenyl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]prop-2-enamide Traditional Name: (E)-3-(4-chloro-3-nitro-phenyl)-N-[4-(pyrrolidinomethyl)phenyl]acrylamide Formula: C20H20ClN3O3 MolecularWeight: 385.8441

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC=C(C=C2)NC(=O)C=CC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)CC2=CC=C(C=C2)NC(=O)/C=C/C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H20ClN3O3/c21-18-9-5-15(13-19(18)24(26)27)6-10-20(25)22-17-7-3-16(4-8-17)14-23-11-1-2-12-23/h3-10,13H,1-2,11-12,14H2,(H,22,25)/b10-6+