2-[[(E)-2-benzamido-3-(3-nitrophenyl)prop-2-enoyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[(E)-2-benzamido-3-(3-nitrophenyl)prop-2-enoyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[[(E)-2-benzamido-3-(3-nitrophenyl)prop-2-enoyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(E)-2-benzamido-3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[(E)-2-benzamido-3-(3-nitrophenyl)prop-2-enoyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[(E)-2-benzamido-3-(3-nitrophenyl)acryloyl]amino]ethyl-dimethyl-ammonium Formula: C20H23N4O4+ MolecularWeight: 383.42102

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=O)C(=CC1=CC(=CC=C1)[N+](=O)[O-])NC(=O)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O4/c1-23(2)12-11-21-20(26)18(22-19(25)16-8-4-3-5-9-16)14-15-7-6-10-17(13-15)24(27)28/h3-10,13-14H,11-12H2,1-2H3,(H,21,26)(H,22,25)/p+1/b18-14+