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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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