2-[[[(E)-3-(2-methoxy-5-methyl-phenyl)prop-2-enoyl]amino]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[[(E)-3-(2-methoxy-5-methyl-phenyl)prop-2-enoyl]amino]methyl]-4-nitro-phenolate Openeye Name: 2-[[[(E)-3-(2-methoxy-5-methyl-phenyl)prop-2-enoyl]amino]methyl]-4-nitro-phenolate CAS Name: 2-[[[(E)-3-(2-methoxy-5-methylphenyl)-1-oxoprop-2-enyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]amino]methyl]-4-nitrophenolate Traditional Name: 2-[[[(E)-3-(2-methoxy-5-methyl-phenyl)acryloyl]amino]methyl]-4-nitro-phenolate Formula: C18H17N2O5- MolecularWeight: 341.33798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C=CC(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OC)/C=C/C(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C18H18N2O5/c1-12-3-7-17(25-2)13(9-12)4-8-18(22)19-11-14-10-15(20(23)24)5-6-16(14)21/h3-10,21H,11H2,1-2H3,(H,19,22)/p-1/b8-4+