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4-[[1-(diphenylmethyl)-5-nitro-indol-3-yl]methyl]benzoic acid

4-[[1-(diphenylmethyl)-5-nitro-indol-3-yl]methyl]benzoic acid

Systemtic Name:4-[[1-(diphenylmethyl)-5-nitro-indol-3-yl]methyl]benzoic acid
Openeye Name:4-[(1-benzhydryl-5-nitro-indol-3-yl)methyl]benzoic acid
CAS Name:4-[[1-(diphenylmethyl)-5-nitro-3-indolyl]methyl]benzoic acid
IUPAC Name:4-[(1-benzhydryl-5-nitroindol-3-yl)methyl]benzoic acid
Traditional Name:4-[(1-benzhydryl-5-nitro-indol-3-yl)methyl]benzoic acid
Formula: C29H22N2O4
MolecularWeight: 462.49598
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)N3C=C(C4=C3C=CC(=C4)[N+](=O)[O-])CC5=CC=C(C=C5)C(=O)O


Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)N3C=C(C4=C3C=CC(=C4)[N+](=O)[O-])CC5=CC=C(C=C5)C(=O)O


InChI

InChI=1S/C29H22N2O4/c32-29(33)23-13-11-20(12-14-23)17-24-19-30(27-16-15-25(31(34)35)18-26(24)27)28(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-16,18-19,28H,17H2,(H,32,33)


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