diethyl-[[5-[(E)-3-(2-nitrophenyl)prop-2-enoyl]-2-oxidanyl-phenyl]methyl]azanium

Systemtic Name: diethyl-[[5-[(E)-3-(2-nitrophenyl)prop-2-enoyl]-2-oxidanyl-phenyl]methyl]azanium Openeye Name: diethyl-[[2-hydroxy-5-[(E)-3-(2-nitrophenyl)prop-2-enoyl]phenyl]methyl]ammonium CAS Name: diethyl-[[2-hydroxy-5-[(E)-3-(2-nitrophenyl)-1-oxoprop-2-enyl]phenyl]methyl]ammonium IUPAC Name: diethyl-[[2-hydroxy-5-[(E)-3-(2-nitrophenyl)prop-2-enoyl]phenyl]methyl]azanium Traditional Name: diethyl-[2-hydroxy-5-[(E)-3-(2-nitrophenyl)acryloyl]benzyl]ammonium Formula: C20H23N2O4+ MolecularWeight: 355.40762

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=C(C=CC(=C1)C(=O)C=CC2=CC=CC=C2[N+](=O)[O-])O

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O4/c1-3-21(4-2)14-17-13-16(10-12-20(17)24)19(23)11-9-15-7-5-6-8-18(15)22(25)26/h5-13,24H,3-4,14H2,1-2H3/p+1/b11-9+