[2-[(4-fluoranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-bromanyl-5-methoxy-4-propoxy-benzoate

Systemtic Name: [2-[(4-fluoranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-bromanyl-5-methoxy-4-propoxy-benzoate Openeye Name: [2-(4-fluoro-3-nitro-anilino)-2-oxo-ethyl] 3-bromo-5-methoxy-4-propoxy-benzoate CAS Name: 3-bromo-5-methoxy-4-propoxybenzoic acid [2-(4-fluoro-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-fluoro-3-nitroanilino)-2-oxoethyl] 3-bromo-5-methoxy-4-propoxybenzoate Traditional Name: 3-bromo-5-methoxy-4-propoxy-benzoic acid [2-(4-fluoro-3-nitro-anilino)-2-keto-ethyl] ester Formula: C19H18BrFN2O7 MolecularWeight: 485.257823

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C(=O)OCC(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-])OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)C(=O)OCC(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-])OC

InChI

InChI=1S/C19H18BrFN2O7/c1-3-6-29-18-13(20)7-11(8-16(18)28-2)19(25)30-10-17(24)22-12-4-5-14(21)15(9-12)23(26)27/h4-5,7-9H,3,6,10H2,1-2H3,(H,22,24)