dimethyl-[(2S)-2-[[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]amino]-2-phenyl-ethyl]azanium

Systemtic Name: dimethyl-[(2S)-2-[[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]amino]-2-phenyl-ethyl]azanium Openeye Name: dimethyl-[(2S)-2-[[(E)-3-(5-nitro-2-furyl)prop-2-enoyl]amino]-2-phenyl-ethyl]ammonium CAS Name: dimethyl-[(2S)-2-[[(E)-3-(5-nitro-2-furanyl)-1-oxoprop-2-enyl]amino]-2-phenylethyl]ammonium IUPAC Name: dimethyl-[(2S)-2-[[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]amino]-2-phenylethyl]azanium Traditional Name: dimethyl-[(2S)-2-[[(E)-3-(5-nitro-2-furyl)acryloyl]amino]-2-phenyl-ethyl]ammonium Formula: C17H20N3O4+ MolecularWeight: 330.3584

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC(C1=CC=CC=C1)NC(=O)C=CC2=CC=C(O2)[N+](=O)[O-]

Isomeric SMILES

C[NH+](C)C[C@H](C1=CC=CC=C1)NC(=O)/C=C/C2=CC=C(O2)[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O4/c1-19(2)12-15(13-6-4-3-5-7-13)18-16(21)10-8-14-9-11-17(24-14)20(22)23/h3-11,15H,12H2,1-2H3,(H,18,21)/p+1/b10-8+/t15-/m1/s1