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

Systemtic Name: butyl 4-[[(E)-2-cyano-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enoyl]amino]benzoate Openeye Name: butyl 4-[[(E)-2-cyano-3-[5-(4-nitrophenyl)-2-furyl]prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-2-cyano-3-[5-(4-nitrophenyl)-2-furanyl]-1-oxoprop-2-enyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[(E)-2-cyano-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-2-cyano-3-[5-(4-nitrophenyl)-2-furyl]acryloyl]amino]benzoic acid butyl ester Formula: C25H21N3O6 MolecularWeight: 459.45074

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(=CC2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)/C(=C/C2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])/C#N

InChI

InChI=1S/C25H21N3O6/c1-2-3-14-33-25(30)18-4-8-20(9-5-18)27-24(29)19(16-26)15-22-12-13-23(34-22)17-6-10-21(11-7-17)28(31)32/h4-13,15H,2-3,14H2,1H3,(H,27,29)/b19-15+