N'-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-N-(4-methyl-2-nitro-phenyl)butanediamide

Systemtic Name: N'-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-N-(4-methyl-2-nitro-phenyl)butanediamide Openeye Name: N'-[(E)-(1,3-dimethylpyrazol-4-yl)methyleneamino]-N-(4-methyl-2-nitro-phenyl)butanediamide CAS Name: N'-[(E)-(1,3-dimethyl-4-pyrazolyl)methylideneamino]-N-(4-methyl-2-nitrophenyl)butanediamide IUPAC Name: N'-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-N-(4-methyl-2-nitrophenyl)butanediamide Traditional Name: N'-[(E)-(1,3-dimethylpyrazol-4-yl)methyleneamino]-N-(4-methyl-2-nitro-phenyl)succinamide Formula: C17H20N6O4 MolecularWeight: 372.3785

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CCC(=O)NN=CC2=CN(N=C2C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CCC(=O)N/N=C/C2=CN(N=C2C)C)[N+](=O)[O-]

InChI

InChI=1S/C17H20N6O4/c1-11-4-5-14(15(8-11)23(26)27)19-16(24)6-7-17(25)20-18-9-13-10-22(3)21-12(13)2/h4-5,8-10H,6-7H2,1-3H3,(H,19,24)(H,20,25)/b18-9+