[2-(1H-indol-3-yl)-2-oxidanylidene-ethyl] 4-(dimethylamino)-3-nitro-benzoate

Systemtic Name: [2-(1H-indol-3-yl)-2-oxidanylidene-ethyl] 4-(dimethylamino)-3-nitro-benzoate Openeye Name: [2-(1H-indol-3-yl)-2-oxo-ethyl] 4-(dimethylamino)-3-nitro-benzoate CAS Name: 4-(dimethylamino)-3-nitrobenzoic acid [2-(1H-indol-3-yl)-2-oxoethyl] ester IUPAC Name: [2-(1H-indol-3-yl)-2-oxoethyl] 4-(dimethylamino)-3-nitrobenzoate Traditional Name: 4-(dimethylamino)-3-nitro-benzoic acid [2-(1H-indol-3-yl)-2-keto-ethyl] ester Formula: C19H17N3O5 MolecularWeight: 367.35538

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)C(=O)OCC(=O)C2=CNC3=CC=CC=C32)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)C(=O)OCC(=O)C2=CNC3=CC=CC=C32)[N+](=O)[O-]

InChI

InChI=1S/C19H17N3O5/c1-21(2)16-8-7-12(9-17(16)22(25)26)19(24)27-11-18(23)14-10-20-15-6-4-3-5-13(14)15/h3-10,20H,11H2,1-2H3