(E)-N-(2-methyl-4-pyrrolidin-1-yl-phenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide

Systemtic Name: (E)-N-(2-methyl-4-pyrrolidin-1-yl-phenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide Openeye Name: (E)-N-(2-methyl-4-pyrrolidin-1-yl-phenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide CAS Name: (E)-N-[2-methyl-4-(1-pyrrolidinyl)phenyl]-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenamide IUPAC Name: (E)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide Traditional Name: (E)-N-(2-methyl-4-pyrrolidino-phenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)acrylamide Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCCC2)NC(=O)C=CC3=CC4=C(C=C3[N+](=O)[O-])OCO4

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCCC2)NC(=O)/C=C/C3=CC4=C(C=C3[N+](=O)[O-])OCO4

InChI

InChI=1S/C21H21N3O5/c1-14-10-16(23-8-2-3-9-23)5-6-17(14)22-21(25)7-4-15-11-19-20(29-13-28-19)12-18(15)24(26)27/h4-7,10-12H,2-3,8-9,13H2,1H3,(H,22,25)/b7-4+