[2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-(furan-2-ylcarbonylamino)-4-methyl-benzoate

Systemtic Name: [2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-(furan-2-ylcarbonylamino)-4-methyl-benzoate Openeye Name: [2-(2-bromo-4-nitro-anilino)-2-oxo-1-phenyl-ethyl] 3-(furan-2-carbonylamino)-4-methyl-benzoate CAS Name: 3-[[2-furanyl(oxo)methyl]amino]-4-methylbenzoic acid [2-(2-bromo-4-nitroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(2-bromo-4-nitroanilino)-2-oxo-1-phenylethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate Traditional Name: 3-(2-furoylamino)-4-methyl-benzoic acid [2-(2-bromo-4-nitro-anilino)-2-keto-1-phenyl-ethyl] ester Formula: C27H20BrN3O7 MolecularWeight: 578.3676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC(C2=CC=CC=C2)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Br)NC(=O)C4=CC=CO4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC(C2=CC=CC=C2)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Br)NC(=O)C4=CC=CO4

InChI

InChI=1S/C27H20BrN3O7/c1-16-9-10-18(14-22(16)30-25(32)23-8-5-13-37-23)27(34)38-24(17-6-3-2-4-7-17)26(33)29-21-12-11-19(31(35)36)15-20(21)28/h2-15,24H,1H3,(H,29,33)(H,30,32)