2-(13,13-dimethyl-9-nitro-6-oxidanylidene-benzo[c][1]benzazonin-5-yl)ethyl 2-fluoranylbenzoate

Systemtic Name: 2-(13,13-dimethyl-9-nitro-6-oxidanylidene-benzo[c][1]benzazonin-5-yl)ethyl 2-fluoranylbenzoate Openeye Name: 2-(13,13-dimethyl-9-nitro-6-oxo-benzo[c][1]benzazonin-5-yl)ethyl 2-fluorobenzoate CAS Name: 2-fluorobenzoic acid 2-(13,13-dimethyl-9-nitro-6-oxo-5-benzo[c][1]benzazoninyl)ethyl ester IUPAC Name: 2-(13,13-dimethyl-9-nitro-6-oxobenzo[c][1]benzazonin-5-yl)ethyl 2-fluorobenzoate Traditional Name: 2-fluorobenzoic acid 2-(6-keto-13,13-dimethyl-9-nitro-benzo[c][1]benzazonin-5-yl)ethyl ester Formula: C27H23FN2O5 MolecularWeight: 474.480323

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=CC2=C(C=CC(=C2)[N+](=O)[O-])C(=O)N(C3=CC=CC=C31)CCOC(=O)C4=CC=CC=C4F)C

Isomeric SMILES

CC1(C=CC2=C(C=CC(=C2)[N+](=O)[O-])C(=O)N(C3=CC=CC=C31)CCOC(=O)C4=CC=CC=C4F)C

InChI

InChI=1S/C27H23FN2O5/c1-27(2)14-13-18-17-19(30(33)34)11-12-20(18)25(31)29(24-10-6-4-8-22(24)27)15-16-35-26(32)21-7-3-5-9-23(21)28/h3-14,17H,15-16H2,1-2H3