butyl 4-[[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]amino]benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O6/c1-2-3-12-25-18(22)13-4-6-14(7-5-13)19-16(21)10-8-15-9-11-17(26-15)20(23)24/h4-11H,2-3,12H2,1H3,(H,19,21)/b10-8+