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

Systemtic Name: 2-[(2-methylphenyl)amino]-N-[(E)-(5-nitro-2-pyrrolidin-1-yl-phenyl)methylideneamino]ethanamide Openeye Name: 2-(2-methylanilino)-N-[(E)-(5-nitro-2-pyrrolidin-1-yl-phenyl)methyleneamino]acetamide CAS Name: 2-(2-methylanilino)-N-[(E)-[5-nitro-2-(1-pyrrolidinyl)phenyl]methylideneamino]acetamide IUPAC Name: 2-(2-methylanilino)-N-[(E)-(5-nitro-2-pyrrolidin-1-ylphenyl)methylideneamino]acetamide Traditional Name: N-[(E)-(5-nitro-2-pyrrolidino-benzylidene)amino]-2-(o-toluidino)acetamide Formula: C20H23N5O3 MolecularWeight: 381.42832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NCC(=O)NN=CC2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC3

Isomeric SMILES

CC1=CC=CC=C1NCC(=O)N/N=C/C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC3

InChI

InChI=1S/C20H23N5O3/c1-15-6-2-3-7-18(15)21-14-20(26)23-22-13-16-12-17(25(27)28)8-9-19(16)24-10-4-5-11-24/h2-3,6-9,12-13,21H,4-5,10-11,14H2,1H3,(H,23,26)/b22-13+