methyl (E)-3-[4-(diethylamino)phenyl]-2-(4,5-dimethoxy-2-nitro-phenyl)prop-2-enoate

Systemtic Name: methyl (E)-3-[4-(diethylamino)phenyl]-2-(4,5-dimethoxy-2-nitro-phenyl)prop-2-enoate Openeye Name: methyl (E)-3-[4-(diethylamino)phenyl]-2-(4,5-dimethoxy-2-nitro-phenyl)prop-2-enoate CAS Name: (E)-3-[4-(diethylamino)phenyl]-2-(4,5-dimethoxy-2-nitrophenyl)-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[4-(diethylamino)phenyl]-2-(4,5-dimethoxy-2-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-[4-(diethylamino)phenyl]-2-(4,5-dimethoxy-2-nitro-phenyl)acrylic acid methyl ester Formula: C22H26N2O6 MolecularWeight: 414.45164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)/C=C(\C2=CC(=C(C=C2[N+](=O)[O-])OC)OC)/C(=O)OC

InChI

InChI=1S/C22H26N2O6/c1-6-23(7-2)16-10-8-15(9-11-16)12-18(22(25)30-5)17-13-20(28-3)21(29-4)14-19(17)24(26)27/h8-14H,6-7H2,1-5H3/b18-12+