(E)-N-butyl-3-(4-nitrophenyl)-N-[[1-(phenylmethyl)pyrrol-2-yl]methyl]prop-2-enamide

Systemtic Name: (E)-N-butyl-3-(4-nitrophenyl)-N-[[1-(phenylmethyl)pyrrol-2-yl]methyl]prop-2-enamide Openeye Name: (E)-N-[(1-benzylpyrrol-2-yl)methyl]-N-butyl-3-(4-nitrophenyl)prop-2-enamide CAS Name: (E)-N-butyl-3-(4-nitrophenyl)-N-[[1-(phenylmethyl)-2-pyrrolyl]methyl]-2-propenamide IUPAC Name: (E)-N-[(1-benzylpyrrol-2-yl)methyl]-N-butyl-3-(4-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-[(1-benzylpyrrol-2-yl)methyl]-N-butyl-3-(4-nitrophenyl)acrylamide Formula: C25H27N3O3 MolecularWeight: 417.50018

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=CN1CC2=CC=CC=C2)C(=O)C=CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCN(CC1=CC=CN1CC2=CC=CC=C2)C(=O)/C=C/C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C25H27N3O3/c1-2-3-17-27(25(29)16-13-21-11-14-23(15-12-21)28(30)31)20-24-10-7-18-26(24)19-22-8-5-4-6-9-22/h4-16,18H,2-3,17,19-20H2,1H3/b16-13+