3-[5-(2-nitropropyl)-2,3-dihydro-1H-indol-3-yl]propyl benzoate

Systemtic Name: 3-[5-(2-nitropropyl)-2,3-dihydro-1H-indol-3-yl]propyl benzoate Openeye Name: 3-[5-(2-nitropropyl)indolin-3-yl]propyl benzoate CAS Name: benzoic acid 3-[5-(2-nitropropyl)-2,3-dihydro-1H-indol-3-yl]propyl ester IUPAC Name: 3-[5-(2-nitropropyl)-2,3-dihydro-1H-indol-3-yl]propyl benzoate Traditional Name: benzoic acid 3-[5-(2-nitropropyl)indolin-3-yl]propyl ester Formula: C21H24N2O4 MolecularWeight: 368.42626

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC2=C(C=C1)NCC2CCCOC(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(CC1=CC2=C(C=C1)NCC2CCCOC(=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H24N2O4/c1-15(23(25)26)12-16-9-10-20-19(13-16)18(14-22-20)8-5-11-27-21(24)17-6-3-2-4-7-17/h2-4,6-7,9-10,13,15,18,22H,5,8,11-12,14H2,1H3