[2-(azepan-1-yl)-2-oxidanylidene-ethyl] (E)-3-(5-nitrofuran-2-yl)prop-2-enoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] (E)-3-(5-nitrofuran-2-yl)prop-2-enoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] (E)-3-(5-nitro-2-furyl)prop-2-enoate CAS Name: (E)-3-(5-nitro-2-furanyl)-2-propenoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] (E)-3-(5-nitrofuran-2-yl)prop-2-enoate Traditional Name: (E)-3-(5-nitro-2-furyl)acrylic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C15H18N2O6 MolecularWeight: 322.31322

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)C=CC2=CC=C(O2)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)/C=C/C2=CC=C(O2)[N+](=O)[O-]

InChI

InChI=1S/C15H18N2O6/c18-13(16-9-3-1-2-4-10-16)11-22-15(19)8-6-12-5-7-14(23-12)17(20)21/h5-8H,1-4,9-11H2/b8-6+