4-[[3-(1H-indol-3-yl)-3-oxidanylidene-propyl]carbamoyl]hexyl 4-nitrobenzoate

Systemtic Name: 4-[[3-(1H-indol-3-yl)-3-oxidanylidene-propyl]carbamoyl]hexyl 4-nitrobenzoate Openeye Name: 4-[[3-(1H-indol-3-yl)-3-oxo-propyl]carbamoyl]hexyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 4-[[[3-(1H-indol-3-yl)-3-oxopropyl]amino]-oxomethyl]hexyl ester IUPAC Name: 4-[[3-(1H-indol-3-yl)-3-oxopropyl]carbamoyl]hexyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid 4-[[3-(1H-indol-3-yl)-3-keto-propyl]carbamoyl]hexyl ester Formula: C25H27N3O6 MolecularWeight: 465.49838

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-])C(=O)NCCC(=O)C2=CNC3=CC=CC=C32

Isomeric SMILES

CCC(CCCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-])C(=O)NCCC(=O)C2=CNC3=CC=CC=C32

InChI

InChI=1S/C25H27N3O6/c1-2-17(6-5-15-34-25(31)18-9-11-19(12-10-18)28(32)33)24(30)26-14-13-23(29)21-16-27-22-8-4-3-7-20(21)22/h3-4,7-12,16-17,27H,2,5-6,13-15H2,1H3,(H,26,30)