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

Systemtic Name: 2-[[[(E)-3-(3-chloranyl-4-ethoxy-5-methoxy-phenyl)prop-2-enoyl]amino]methyl]-4-nitro-phenolate Openeye Name: 2-[[[(E)-3-(3-chloro-4-ethoxy-5-methoxy-phenyl)prop-2-enoyl]amino]methyl]-4-nitro-phenolate CAS Name: 2-[[[(E)-3-(3-chloro-4-ethoxy-5-methoxyphenyl)-1-oxoprop-2-enyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[[(E)-3-(3-chloro-4-ethoxy-5-methoxyphenyl)prop-2-enoyl]amino]methyl]-4-nitrophenolate Traditional Name: 2-[[[(E)-3-(3-chloro-4-ethoxy-5-methoxy-phenyl)acryloyl]amino]methyl]-4-nitro-phenolate Formula: C19H18ClN2O6- MolecularWeight: 405.80902

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Cl)C=CC(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Cl)/C=C/C(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-])OC

InChI

InChI=1S/C19H19ClN2O6/c1-3-28-19-15(20)8-12(9-17(19)27-2)4-7-18(24)21-11-13-10-14(22(25)26)5-6-16(13)23/h4-10,23H,3,11H2,1-2H3,(H,21,24)/p-1/b7-4+