(Z)-2-(azepan-1-ylcarbonyl)-3-[5-(2-methyl-3-nitro-phenyl)furan-2-yl]prop-2-enenitrile

Systemtic Name: (Z)-2-(azepan-1-ylcarbonyl)-3-[5-(2-methyl-3-nitro-phenyl)furan-2-yl]prop-2-enenitrile Openeye Name: (Z)-2-(azepane-1-carbonyl)-3-[5-(2-methyl-3-nitro-phenyl)-2-furyl]prop-2-enenitrile CAS Name: (Z)-2-[1-azepanyl(oxo)methyl]-3-[5-(2-methyl-3-nitrophenyl)-2-furanyl]-2-propenenitrile IUPAC Name: (Z)-2-(azepane-1-carbonyl)-3-[5-(2-methyl-3-nitrophenyl)furan-2-yl]prop-2-enenitrile Traditional Name: (Z)-2-(azepane-1-carbonyl)-3-[5-(2-methyl-3-nitro-phenyl)-2-furyl]acrylonitrile Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C2=CC=C(O2)C=C(C#N)C(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C2=CC=C(O2)/C=C(/C#N)\C(=O)N3CCCCCC3

InChI

InChI=1S/C21H21N3O4/c1-15-18(7-6-8-19(15)24(26)27)20-10-9-17(28-20)13-16(14-22)21(25)23-11-4-2-3-5-12-23/h6-10,13H,2-5,11-12H2,1H3/b16-13-