[(2S)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-(5-bromanylfuran-2-yl)prop-2-enoate

Systemtic Name: [(2S)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-(5-bromanylfuran-2-yl)prop-2-enoate Openeye Name: [(1S)-1-methyl-2-(2-nitroanilino)-2-oxo-ethyl] (E)-3-(5-bromo-2-furyl)prop-2-enoate CAS Name: (E)-3-(5-bromo-2-furanyl)-2-propenoic acid [(2S)-1-(2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-nitroanilino)-1-oxopropan-2-yl] (E)-3-(5-bromofuran-2-yl)prop-2-enoate Traditional Name: (E)-3-(5-bromo-2-furyl)acrylic acid [(1S)-2-keto-1-methyl-2-(2-nitroanilino)ethyl] ester Formula: C16H13BrN2O6 MolecularWeight: 409.18822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1[N+](=O)[O-])OC(=O)/C=C/C2=CC=C(O2)Br

InChI

InChI=1S/C16H13BrN2O6/c1-10(24-15(20)9-7-11-6-8-14(17)25-11)16(21)18-12-4-2-3-5-13(12)19(22)23/h2-10H,1H3,(H,18,21)/b9-7+/t10-/m0/s1