ethyl (E)-2-cyano-3-[5-(3-nitro-4-piperidin-1-yl-phenyl)furan-2-yl]prop-2-enoate

Systemtic Name: ethyl (E)-2-cyano-3-[5-(3-nitro-4-piperidin-1-yl-phenyl)furan-2-yl]prop-2-enoate Openeye Name: ethyl (E)-2-cyano-3-[5-[3-nitro-4-(1-piperidyl)phenyl]-2-furyl]prop-2-enoate CAS Name: (E)-2-cyano-3-[5-[3-nitro-4-(1-piperidinyl)phenyl]-2-furanyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-3-[5-(3-nitro-4-piperidin-1-ylphenyl)furan-2-yl]prop-2-enoate Traditional Name: (E)-2-cyano-3-[5-(3-nitro-4-piperidino-phenyl)-2-furyl]acrylic acid ethyl ester Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CC=C(O1)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])C#N

Isomeric SMILES

CCOC(=O)/C(=C/C1=CC=C(O1)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])/C#N

InChI

InChI=1S/C21H21N3O5/c1-2-28-21(25)16(14-22)12-17-7-9-20(29-17)15-6-8-18(19(13-15)24(26)27)23-10-4-3-5-11-23/h6-9,12-13H,2-5,10-11H2,1H3/b16-12+