2-[(2,4-dimethylphenyl)amino]-N-[(E)-(5-nitro-2-pyrrolidin-1-yl-phenyl)methylideneamino]ethanamide

Systemtic Name: 2-[(2,4-dimethylphenyl)amino]-N-[(E)-(5-nitro-2-pyrrolidin-1-yl-phenyl)methylideneamino]ethanamide Openeye Name: 2-(2,4-dimethylanilino)-N-[(E)-(5-nitro-2-pyrrolidin-1-yl-phenyl)methyleneamino]acetamide CAS Name: 2-(2,4-dimethylanilino)-N-[(E)-[5-nitro-2-(1-pyrrolidinyl)phenyl]methylideneamino]acetamide IUPAC Name: 2-(2,4-dimethylanilino)-N-[(E)-(5-nitro-2-pyrrolidin-1-ylphenyl)methylideneamino]acetamide Traditional Name: 2-(2,4-dimethylanilino)-N-[(E)-(5-nitro-2-pyrrolidino-benzylidene)amino]acetamide Formula: C21H25N5O3 MolecularWeight: 395.4549

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NCC(=O)NN=CC2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC3)C

Isomeric SMILES

CC1=CC(=C(C=C1)NCC(=O)N/N=C/C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC3)C

InChI

InChI=1S/C21H25N5O3/c1-15-5-7-19(16(2)11-15)22-14-21(27)24-23-13-17-12-18(26(28)29)6-8-20(17)25-9-3-4-10-25/h5-8,11-13,22H,3-4,9-10,14H2,1-2H3,(H,24,27)/b23-13+