3-[5-(2-nitropropyl)-2,3-dihydroindol-1-yl]propyl benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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