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

Systemtic Name: [2-oxidanylidene-3-(1,3,3-trimethylindol-2-ylidene)propyl] 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: [2-oxo-3-(1,3,3-trimethylindolin-2-ylidene)propyl] 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid [2-oxo-3-(1,3,3-trimethyl-2-indolylidene)propyl] ester IUPAC Name: [2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl] 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid [2-keto-3-(1,3,3-trimethylindolin-2-ylidene)propyl] ester Formula: C26H29N3O5 MolecularWeight: 463.52556

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2N(C1=CC(=O)COC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-])C)C

Isomeric SMILES

CC1(C2=CC=CC=C2N(C1=CC(=O)COC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-])C)C

InChI

InChI=1S/C26H29N3O5/c1-26(2)20-9-5-6-10-21(20)27(3)24(26)16-19(30)17-34-25(31)18-11-12-22(23(15-18)29(32)33)28-13-7-4-8-14-28/h5-6,9-12,15-16H,4,7-8,13-14,17H2,1-3H3