N-[(Z)-(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)methylideneamino]-2-(2-nitrophenoxy)ethanamide

Systemtic Name: N-[(Z)-(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)methylideneamino]-2-(2-nitrophenoxy)ethanamide Openeye Name: N-[(Z)-(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)methyleneamino]-2-(2-nitrophenoxy)acetamide CAS Name: N-[(Z)-(1-cyclohexyl-2,5-dimethyl-3-pyrrolyl)methylideneamino]-2-(2-nitrophenoxy)acetamide IUPAC Name: N-[(Z)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]-2-(2-nitrophenoxy)acetamide Traditional Name: N-[(Z)-(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)methyleneamino]-2-(2-nitrophenoxy)acetamide Formula: C21H26N4O4 MolecularWeight: 398.45554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CCCCC2)C)C=NNC(=O)COC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1C2CCCCC2)C)/C=N\NC(=O)COC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O4/c1-15-12-17(16(2)24(15)18-8-4-3-5-9-18)13-22-23-21(26)14-29-20-11-7-6-10-19(20)25(27)28/h6-7,10-13,18H,3-5,8-9,14H2,1-2H3,(H,23,26)/b22-13-