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

Systemtic Name: N-[(E)-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]methylideneamino]-3-nitro-benzamide Openeye Name: N-[(E)-(1-isobutyl-2,5-dimethyl-pyrrol-3-yl)methyleneamino]-3-nitro-benzamide CAS Name: N-[(E)-[2,5-dimethyl-1-(2-methylpropyl)-3-pyrrolyl]methylideneamino]-3-nitrobenzamide IUPAC Name: N-[(E)-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]methylideneamino]-3-nitrobenzamide Traditional Name: N-[(E)-(1-isobutyl-2,5-dimethyl-pyrrol-3-yl)methyleneamino]-3-nitro-benzamide Formula: C18H22N4O3 MolecularWeight: 342.39228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC(C)C)C)C=NNC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1CC(C)C)C)/C=N/NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O3/c1-12(2)11-21-13(3)8-16(14(21)4)10-19-20-18(23)15-6-5-7-17(9-15)22(24)25/h5-10,12H,11H2,1-4H3,(H,20,23)/b19-10+