3-[[(E)-2-benzamido-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enoyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[(E)-2-benzamido-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enoyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[(E)-2-benzamido-3-[5-(4-nitrophenyl)-2-furyl]prop-2-enoyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[(E)-2-benzamido-3-[5-(4-nitrophenyl)-2-furanyl]-1-oxoprop-2-enyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[(E)-2-benzamido-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enoyl]amino]propyl-dimethylazanium Traditional Name: 3-[[(E)-2-benzamido-3-[5-(4-nitrophenyl)-2-furyl]acryloyl]amino]propyl-dimethyl-ammonium Formula: C25H27N4O5+ MolecularWeight: 463.50568

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=O)C(=CC1=CC=C(O1)C2=CC=C(C=C2)[N+](=O)[O-])NC(=O)C3=CC=CC=C3

Isomeric SMILES

C[NH+](C)CCCNC(=O)/C(=C\C1=CC=C(O1)C2=CC=C(C=C2)[N+](=O)[O-])/NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H26N4O5/c1-28(2)16-6-15-26-25(31)22(27-24(30)19-7-4-3-5-8-19)17-21-13-14-23(34-21)18-9-11-20(12-10-18)29(32)33/h3-5,7-14,17H,6,15-16H2,1-2H3,(H,26,31)(H,27,30)/p+1/b22-17+