3-[7-cyano-5-(2-nitropropyl)-2,3-dihydroindol-1-yl]propyl benzoate

Systemtic Name: 3-[7-cyano-5-(2-nitropropyl)-2,3-dihydroindol-1-yl]propyl benzoate Openeye Name: 3-[7-cyano-5-(2-nitropropyl)indolin-1-yl]propyl benzoate CAS Name: benzoic acid 3-[7-cyano-5-(2-nitropropyl)-2,3-dihydroindol-1-yl]propyl ester IUPAC Name: 3-[7-cyano-5-(2-nitropropyl)-2,3-dihydroindol-1-yl]propyl benzoate Traditional Name: benzoic acid 3-[7-cyano-5-(2-nitropropyl)indolin-1-yl]propyl ester Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O4/c1-16(25(27)28)12-17-13-19-8-10-24(21(19)20(14-17)15-23)9-5-11-29-22(26)18-6-3-2-4-7-18/h2-4,6-7,13-14,16H,5,8-12H2,1H3