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

Systemtic Name: [2-oxidanylidene-3-(1,3,3-trimethylindol-2-ylidene)propyl] 4-methyl-3-nitro-benzoate Openeye Name: [2-oxo-3-(1,3,3-trimethylindolin-2-ylidene)propyl] 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-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-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid [2-keto-3-(1,3,3-trimethylindolin-2-ylidene)propyl] ester Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)C=C2C(C3=CC=CC=C3N2C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)C=C2C(C3=CC=CC=C3N2C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C22H22N2O5/c1-14-9-10-15(11-19(14)24(27)28)21(26)29-13-16(25)12-20-22(2,3)17-7-5-6-8-18(17)23(20)4/h5-12H,13H2,1-4H3