(E)-2-(azepan-1-ylcarbonyl)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enenitrile

Systemtic Name: (E)-2-(azepan-1-ylcarbonyl)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enenitrile Openeye Name: (E)-2-(azepane-1-carbonyl)-3-[5-(4-nitrophenyl)-2-furyl]prop-2-enenitrile CAS Name: (E)-2-[1-azepanyl(oxo)methyl]-3-[5-(4-nitrophenyl)-2-furanyl]-2-propenenitrile IUPAC Name: (E)-2-(azepane-1-carbonyl)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enenitrile Traditional Name: (E)-2-(azepane-1-carbonyl)-3-[5-(4-nitrophenyl)-2-furyl]acrylonitrile Formula: C20H19N3O4 MolecularWeight: 365.38256

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C(=CC2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

C1CCCN(CC1)C(=O)/C(=C/C2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])/C#N

InChI

InChI=1S/C20H19N3O4/c21-14-16(20(24)22-11-3-1-2-4-12-22)13-18-9-10-19(27-18)15-5-7-17(8-6-15)23(25)26/h5-10,13H,1-4,11-12H2/b16-13+