ethyl 3-[4-[[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]amino]phenyl]propanoate

Systemtic Name: ethyl 3-[4-[[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]amino]phenyl]propanoate Openeye Name: ethyl 3-[4-[[(E)-3-(5-nitro-2-furyl)prop-2-enoyl]amino]phenyl]propanoate CAS Name: 3-[4-[[(E)-3-(5-nitro-2-furanyl)-1-oxoprop-2-enyl]amino]phenyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[4-[[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]amino]phenyl]propanoate Traditional Name: 3-[4-[[(E)-3-(5-nitro-2-furyl)acryloyl]amino]phenyl]propionic acid ethyl ester Formula: C18H18N2O6 MolecularWeight: 358.34532

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=CC=C(C=C1)NC(=O)C=CC2=CC=C(O2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CCC1=CC=C(C=C1)NC(=O)/C=C/C2=CC=C(O2)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O6/c1-2-25-18(22)12-5-13-3-6-14(7-4-13)19-16(21)10-8-15-9-11-17(26-15)20(23)24/h3-4,6-11H,2,5,12H2,1H3,(H,19,21)/b10-8+