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

Systemtic Name: [(2S)-1-[(2-ethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-(5-nitrofuran-2-yl)prop-2-enoate Openeye Name: [(1S)-2-(2-ethoxyanilino)-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-ethoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-ethoxyanilino)-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-phenetidino)ethyl] ester Formula: C18H18N2O7 MolecularWeight: 374.34472

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C(C)OC(=O)C=CC2=CC=C(O2)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)[C@H](C)OC(=O)/C=C/C2=CC=C(O2)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O7/c1-3-25-15-7-5-4-6-14(15)19-18(22)12(2)26-17(21)11-9-13-8-10-16(27-13)20(23)24/h4-12H,3H2,1-2H3,(H,19,22)/b11-9+/t12-/m0/s1