[1-(1-ethanoyl-2,3-dihydroindol-5-yl)-1-oxidanylidene-propan-2-yl] 4-ethoxy-3-nitro-benzoate

Systemtic Name: [1-(1-ethanoyl-2,3-dihydroindol-5-yl)-1-oxidanylidene-propan-2-yl] 4-ethoxy-3-nitro-benzoate Openeye Name: [2-(1-acetylindolin-5-yl)-1-methyl-2-oxo-ethyl] 4-ethoxy-3-nitro-benzoate CAS Name: 4-ethoxy-3-nitrobenzoic acid [1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl] 4-ethoxy-3-nitrobenzoate Traditional Name: 4-ethoxy-3-nitro-benzoic acid [2-(1-acetylindolin-5-yl)-2-keto-1-methyl-ethyl] ester Formula: C22H22N2O7 MolecularWeight: 426.41928

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OC(C)C(=O)C2=CC3=C(C=C2)N(CC3)C(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)OC(C)C(=O)C2=CC3=C(C=C2)N(CC3)C(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C22H22N2O7/c1-4-30-20-8-6-17(12-19(20)24(28)29)22(27)31-13(2)21(26)16-5-7-18-15(11-16)9-10-23(18)14(3)25/h5-8,11-13H,4,9-10H2,1-3H3