[1-[(2-chloranyl-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(5-bromanylfuran-2-yl)prop-2-enoate

Systemtic Name: [1-[(2-chloranyl-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(5-bromanylfuran-2-yl)prop-2-enoate Openeye Name: [2-(2-chloro-5-nitro-anilino)-1-methyl-2-oxo-ethyl] 3-(5-bromo-2-furyl)prop-2-enoate CAS Name: 3-(5-bromo-2-furanyl)-2-propenoic acid [1-(2-chloro-5-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-chloro-5-nitroanilino)-1-oxopropan-2-yl] 3-(5-bromofuran-2-yl)prop-2-enoate Traditional Name: 3-(5-bromo-2-furyl)acrylic acid [2-(2-chloro-5-nitro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C16H12BrClN2O6 MolecularWeight: 443.63328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl)OC(=O)C=CC2=CC=C(O2)Br

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl)OC(=O)C=CC2=CC=C(O2)Br

InChI

InChI=1S/C16H12BrClN2O6/c1-9(25-15(21)7-4-11-3-6-14(17)26-11)16(22)19-13-8-10(20(23)24)2-5-12(13)18/h2-9H,1H3,(H,19,22)