methyl (E)-3-[1-(diphenylmethyl)-5-nitro-indol-3-yl]prop-2-enoate

Systemtic Name: methyl (E)-3-[1-(diphenylmethyl)-5-nitro-indol-3-yl]prop-2-enoate Openeye Name: methyl (E)-3-(1-benzhydryl-5-nitro-indol-3-yl)prop-2-enoate CAS Name: (E)-3-[1-(diphenylmethyl)-5-nitro-3-indolyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-(1-benzhydryl-5-nitroindol-3-yl)prop-2-enoate Traditional Name: (E)-3-(1-benzhydryl-5-nitro-indol-3-yl)acrylic acid methyl ester Formula: C25H20N2O4 MolecularWeight: 412.4373

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC1=CN(C2=C1C=C(C=C2)[N+](=O)[O-])C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)/C=C/C1=CN(C2=C1C=C(C=C2)[N+](=O)[O-])C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H20N2O4/c1-31-24(28)15-12-20-17-26(23-14-13-21(27(29)30)16-22(20)23)25(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-17,25H,1H3/b15-12+