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

Systemtic Name: [2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxidanylidene-ethyl] 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: [2-[(2S)-2-methylindolin-1-yl]-2-oxo-ethyl] 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid [2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] ester IUPAC Name: [2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid [2-keto-2-[(2S)-2-methylindolin-1-yl]ethyl] ester Formula: C23H25N3O5 MolecularWeight: 423.4617

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1C(=O)COC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CC2=CC=CC=C2N1C(=O)COC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C23H25N3O5/c1-16-13-17-7-3-4-8-19(17)25(16)22(27)15-31-23(28)18-9-10-20(21(14-18)26(29)30)24-11-5-2-6-12-24/h3-4,7-10,14,16H,2,5-6,11-13,15H2,1H3/t16-/m0/s1