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

Systemtic Name: [(2S)-1-[(2-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-(5-nitrofuran-2-yl)prop-2-enoate Openeye Name: [(1S)-2-(2-methoxyanilino)-1-methyl-2-oxo-ethyl] (E)-3-(5-nitro-2-furyl)prop-2-enoate CAS Name: (E)-3-(5-nitro-2-furanyl)-2-propenoic acid [(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] (E)-3-(5-nitrofuran-2-yl)prop-2-enoate Traditional Name: (E)-3-(5-nitro-2-furyl)acrylic acid [(1S)-2-keto-1-methyl-2-(o-anisidino)ethyl] ester Formula: C17H16N2O7 MolecularWeight: 360.31814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1OC)OC(=O)C=CC2=CC=C(O2)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1OC)OC(=O)/C=C/C2=CC=C(O2)[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O7/c1-11(17(21)18-13-5-3-4-6-14(13)24-2)25-16(20)10-8-12-7-9-15(26-12)19(22)23/h3-11H,1-2H3,(H,18,21)/b10-8+/t11-/m0/s1