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

Systemtic Name: dimethyl-[3-[[(E)-2-[(4-nitrophenyl)carbonylamino]-3-phenyl-prop-2-enoyl]amino]propyl]azanium Openeye Name: dimethyl-[3-[[(E)-2-[(4-nitrobenzoyl)amino]-3-phenyl-prop-2-enoyl]amino]propyl]ammonium CAS Name: dimethyl-[3-[[(E)-2-[[(4-nitrophenyl)-oxomethyl]amino]-1-oxo-3-phenylprop-2-enyl]amino]propyl]ammonium IUPAC Name: dimethyl-[3-[[(E)-2-[(4-nitrobenzoyl)amino]-3-phenylprop-2-enoyl]amino]propyl]azanium Traditional Name: dimethyl-[3-[[(E)-2-[(4-nitrobenzoyl)amino]-3-phenyl-acryloyl]amino]propyl]ammonium Formula: C21H25N4O4+ MolecularWeight: 397.4476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O4/c1-24(2)14-6-13-22-21(27)19(15-16-7-4-3-5-8-16)23-20(26)17-9-11-18(12-10-17)25(28)29/h3-5,7-12,15H,6,13-14H2,1-2H3,(H,22,27)(H,23,26)/p+1/b19-15+