2-[(diethylazaniumyl)methyl]-4-[(E)-3-(2-nitrophenyl)prop-2-enoyl]phenolate

Systemtic Name: 2-[(diethylazaniumyl)methyl]-4-[(E)-3-(2-nitrophenyl)prop-2-enoyl]phenolate Openeye Name: 2-[(diethylammonio)methyl]-4-[(E)-3-(2-nitrophenyl)prop-2-enoyl]phenolate CAS Name: 2-[(diethylammonio)methyl]-4-[(E)-3-(2-nitrophenyl)-1-oxoprop-2-enyl]phenolate IUPAC Name: 2-[(diethylazaniumyl)methyl]-4-[(E)-3-(2-nitrophenyl)prop-2-enoyl]phenolate Traditional Name: 2-[(diethylammonio)methyl]-4-[(E)-3-(2-nitrophenyl)acryloyl]phenolate Formula: C20H22N2O4 MolecularWeight: 354.39968

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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/b11-9+