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

Systemtic Name: pentyl 4-[[2-cyano-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoyl]amino]benzoate Openeye Name: pentyl 4-[[2-cyano-3-[5-(3-nitrophenyl)-2-furyl]prop-2-enoyl]amino]benzoate CAS Name: 4-[[2-cyano-3-[5-(3-nitrophenyl)-2-furanyl]-1-oxoprop-2-enyl]amino]benzoic acid pentyl ester IUPAC Name: pentyl 4-[[2-cyano-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoyl]amino]benzoate Traditional Name: 4-[[2-cyano-3-[5-(3-nitrophenyl)-2-furyl]acryloyl]amino]benzoic acid amyl ester Formula: C26H23N3O6 MolecularWeight: 473.47732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H23N3O6/c1-2-3-4-14-34-26(31)18-8-10-21(11-9-18)28-25(30)20(17-27)16-23-12-13-24(35-23)19-6-5-7-22(15-19)29(32)33/h5-13,15-16H,2-4,14H2,1H3,(H,28,30)