[2-oxidanylidene-3-(1,3,3-trimethylindol-2-ylidene)propyl] 4-morpholin-4-yl-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-3-(1,3,3-trimethylindol-2-ylidene)propyl] 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: [2-oxo-3-(1,3,3-trimethylindolin-2-ylidene)propyl] 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid [2-oxo-3-(1,3,3-trimethyl-2-indolylidene)propyl] ester IUPAC Name: [2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl] 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-nitro-benzoic acid [2-keto-3-(1,3,3-trimethylindolin-2-ylidene)propyl] ester Formula: C25H27N3O6 MolecularWeight: 465.49838

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2N(C1=CC(=O)COC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-])C)C

Isomeric SMILES

CC1(C2=CC=CC=C2N(C1=CC(=O)COC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-])C)C

InChI

InChI=1S/C25H27N3O6/c1-25(2)19-6-4-5-7-20(19)26(3)23(25)15-18(29)16-34-24(30)17-8-9-21(22(14-17)28(31)32)27-10-12-33-13-11-27/h4-9,14-15H,10-13,16H2,1-3H3