2-[[3,3-dimethyl-2-[(E)-2-phenylethenyl]indol-1-ium-1-yl]methyl]-4-nitro-phenol

Systemtic Name: 2-[[3,3-dimethyl-2-[(E)-2-phenylethenyl]indol-1-ium-1-yl]methyl]-4-nitro-phenol Openeye Name: 2-[[3,3-dimethyl-2-[(E)-styryl]indol-1-ium-1-yl]methyl]-4-nitro-phenol CAS Name: 2-[[3,3-dimethyl-2-[(E)-2-phenylethenyl]-1-indol-1-iumyl]methyl]-4-nitrophenol IUPAC Name: 2-[[3,3-dimethyl-2-[(E)-2-phenylethenyl]indol-1-ium-1-yl]methyl]-4-nitrophenol Traditional Name: 2-[[3,3-dimethyl-2-[(E)-styryl]indol-1-ium-1-yl]methyl]-4-nitro-phenol Formula: C25H23N2O3+ MolecularWeight: 399.46172

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2[N+](=C1C=CC3=CC=CC=C3)CC4=C(C=CC(=C4)[N+](=O)[O-])O)C

Isomeric SMILES

CC1(C2=CC=CC=C2[N+](=C1/C=C/C3=CC=CC=C3)CC4=C(C=CC(=C4)[N+](=O)[O-])O)C

InChI

InChI=1S/C25H22N2O3/c1-25(2)21-10-6-7-11-22(21)26(24(25)15-12-18-8-4-3-5-9-18)17-19-16-20(27(29)30)13-14-23(19)28/h3-16H,17H2,1-2H3/p+1/b15-12+