[2-[bis(phenylmethyl)amino]-1-(1-ethanoyl-7-nitro-2,3-dihydroindol-5-yl)ethyl] ethanoate

Systemtic Name: [2-[bis(phenylmethyl)amino]-1-(1-ethanoyl-7-nitro-2,3-dihydroindol-5-yl)ethyl] ethanoate Openeye Name: [1-(1-acetyl-7-nitro-indolin-5-yl)-2-(dibenzylamino)ethyl] acetate CAS Name: acetic acid [1-(1-acetyl-7-nitro-2,3-dihydroindol-5-yl)-2-[bis(phenylmethyl)amino]ethyl] ester IUPAC Name: [1-(1-acetyl-7-nitro-2,3-dihydroindol-5-yl)-2-(dibenzylamino)ethyl] acetate Traditional Name: acetic acid [1-(1-acetyl-7-nitro-indolin-5-yl)-2-(dibenzylamino)ethyl] ester Formula: C28H29N3O5 MolecularWeight: 487.54696

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC2=CC(=CC(=C21)[N+](=O)[O-])C(CN(CC3=CC=CC=C3)CC4=CC=CC=C4)OC(=O)C

Isomeric SMILES

CC(=O)N1CCC2=CC(=CC(=C21)[N+](=O)[O-])C(CN(CC3=CC=CC=C3)CC4=CC=CC=C4)OC(=O)C

InChI

InChI=1S/C28H29N3O5/c1-20(32)30-14-13-24-15-25(16-26(28(24)30)31(34)35)27(36-21(2)33)19-29(17-22-9-5-3-6-10-22)18-23-11-7-4-8-12-23/h3-12,15-16,27H,13-14,17-19H2,1-2H3