N-[(E)-(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)methylideneamino]-4-nitro-benzamide

Systemtic Name: N-[(E)-(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)methylideneamino]-4-nitro-benzamide Openeye Name: N-[(E)-(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)methyleneamino]-4-nitro-benzamide CAS Name: N-[(E)-(1-cyclohexyl-2,5-dimethyl-3-pyrrolyl)methylideneamino]-4-nitrobenzamide IUPAC Name: N-[(E)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]-4-nitrobenzamide Traditional Name: N-[(E)-(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)methyleneamino]-4-nitro-benzamide Formula: C20H24N4O3 MolecularWeight: 368.42956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O3/c1-14-12-17(15(2)23(14)18-6-4-3-5-7-18)13-21-22-20(25)16-8-10-19(11-9-16)24(26)27/h8-13,18H,3-7H2,1-2H3,(H,22,25)/b21-13+