[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl] 3-nitro-4-piperidin-1-yl-benzoate

Systemtic Name: [2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl] 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: (2-indolin-1-yl-2-oxo-ethyl) 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid (2-indolin-1-yl-2-keto-ethyl) ester Formula: C22H23N3O5 MolecularWeight: 409.43512

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC(=O)N3CCC4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC(=O)N3CCC4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C22H23N3O5/c26-21(24-13-10-16-6-2-3-7-18(16)24)15-30-22(27)17-8-9-19(20(14-17)25(28)29)23-11-4-1-5-12-23/h2-3,6-9,14H,1,4-5,10-13,15H2