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

Systemtic Name: diethyl-[[2-methoxy-5-[(E)-3-(2-nitrophenyl)prop-2-enoyl]phenyl]methyl]azanium Openeye Name: diethyl-[[2-methoxy-5-[(E)-3-(2-nitrophenyl)prop-2-enoyl]phenyl]methyl]ammonium CAS Name: diethyl-[[2-methoxy-5-[(E)-3-(2-nitrophenyl)-1-oxoprop-2-enyl]phenyl]methyl]ammonium IUPAC Name: diethyl-[[2-methoxy-5-[(E)-3-(2-nitrophenyl)prop-2-enoyl]phenyl]methyl]azanium Traditional Name: diethyl-[2-methoxy-5-[(E)-3-(2-nitrophenyl)acryloyl]benzyl]ammonium Formula: C21H25N2O4+ MolecularWeight: 369.4342

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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-])OC

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O4/c1-4-22(5-2)15-18-14-17(11-13-21(18)27-3)20(24)12-10-16-8-6-7-9-19(16)23(25)26/h6-14H,4-5,15H2,1-3H3/p+1/b12-10+