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

Systemtic Name: [2-oxidanylidene-3-(1,3,3-trimethylindol-2-ylidene)propyl] 4-chloranyl-2-nitro-benzoate Openeye Name: [2-oxo-3-(1,3,3-trimethylindolin-2-ylidene)propyl] 4-chloro-2-nitro-benzoate CAS Name: 4-chloro-2-nitrobenzoic acid [2-oxo-3-(1,3,3-trimethyl-2-indolylidene)propyl] ester IUPAC Name: [2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl] 4-chloro-2-nitrobenzoate Traditional Name: 4-chloro-2-nitro-benzoic acid [2-keto-3-(1,3,3-trimethylindolin-2-ylidene)propyl] ester Formula: C21H19ClN2O5 MolecularWeight: 414.83896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN2O5/c1-21(2)16-6-4-5-7-17(16)23(3)19(21)11-14(25)12-29-20(26)15-9-8-13(22)10-18(15)24(27)28/h4-11H,12H2,1-3H3