3-[[(E)-3-(4-bromophenyl)-2-[(4-nitrophenyl)carbonylamino]prop-2-enoyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[(E)-3-(4-bromophenyl)-2-[(4-nitrophenyl)carbonylamino]prop-2-enoyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[(E)-3-(4-bromophenyl)-2-[(4-nitrobenzoyl)amino]prop-2-enoyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[(E)-3-(4-bromophenyl)-2-[[(4-nitrophenyl)-oxomethyl]amino]-1-oxoprop-2-enyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[(E)-3-(4-bromophenyl)-2-[(4-nitrobenzoyl)amino]prop-2-enoyl]amino]propyl-dimethylazanium Traditional Name: 3-[[(E)-3-(4-bromophenyl)-2-[(4-nitrobenzoyl)amino]acryloyl]amino]propyl-dimethyl-ammonium Formula: C21H24BrN4O4+ MolecularWeight: 476.34366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrN4O4/c1-25(2)13-3-12-23-21(28)19(14-15-4-8-17(22)9-5-15)24-20(27)16-6-10-18(11-7-16)26(29)30/h4-11,14H,3,12-13H2,1-2H3,(H,23,28)(H,24,27)/p+1/b19-14+