2-[2-(3,5-dimethylphenyl)-5-nitro-1H-indol-3-yl]ethyl-(phenylmethyl)carbamic acid

Systemtic Name: 2-[2-(3,5-dimethylphenyl)-5-nitro-1H-indol-3-yl]ethyl-(phenylmethyl)carbamic acid Openeye Name: benzyl-[2-[2-(3,5-dimethylphenyl)-5-nitro-1H-indol-3-yl]ethyl]carbamic acid CAS Name: 2-[2-(3,5-dimethylphenyl)-5-nitro-1H-indol-3-yl]ethyl-(phenylmethyl)carbamic acid IUPAC Name: benzyl-[2-[2-(3,5-dimethylphenyl)-5-nitro-1H-indol-3-yl]ethyl]carbamic acid Traditional Name: benzyl-[2-[2-(3,5-dimethylphenyl)-5-nitro-1H-indol-3-yl]ethyl]carbamic acid Formula: C26H25N3O4 MolecularWeight: 443.4944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=C(C3=C(N2)C=CC(=C3)[N+](=O)[O-])CCN(CC4=CC=CC=C4)C(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)C2=C(C3=C(N2)C=CC(=C3)[N+](=O)[O-])CCN(CC4=CC=CC=C4)C(=O)O)C

InChI

InChI=1S/C26H25N3O4/c1-17-12-18(2)14-20(13-17)25-22(23-15-21(29(32)33)8-9-24(23)27-25)10-11-28(26(30)31)16-19-6-4-3-5-7-19/h3-9,12-15,27H,10-11,16H2,1-2H3,(H,30,31)