[5-nitro-1-(phenylmethyl)-2,3-dihydroindol-2-yl]methyl benzoate

Systemtic Name: [5-nitro-1-(phenylmethyl)-2,3-dihydroindol-2-yl]methyl benzoate Openeye Name: (1-benzyl-5-nitro-indolin-2-yl)methyl benzoate CAS Name: benzoic acid [5-nitro-1-(phenylmethyl)-2,3-dihydroindol-2-yl]methyl ester IUPAC Name: (1-benzyl-5-nitro-2,3-dihydroindol-2-yl)methyl benzoate Traditional Name: benzoic acid (1-benzyl-5-nitro-indolin-2-yl)methyl ester Formula: C23H20N2O4 MolecularWeight: 388.4159

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20N2O4/c26-23(18-9-5-2-6-10-18)29-16-21-14-19-13-20(25(27)28)11-12-22(19)24(21)15-17-7-3-1-4-8-17/h1-13,21H,14-16H2