N-[(E)-[3,4-bis(fluoranyl)phenyl]methylideneamino]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline

Systemtic Name: N-[(E)-[3,4-bis(fluoranyl)phenyl]methylideneamino]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline Openeye Name: N-[(E)-(3,4-difluorophenyl)methyleneamino]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline CAS Name: N-[(E)-(3,4-difluorophenyl)methylideneamino]-2-nitro-4-(1-pyrrolidinylsulfonyl)aniline IUPAC Name: N-[(E)-(3,4-difluorophenyl)methylideneamino]-2-nitro-4-pyrrolidin-1-ylsulfonylaniline Traditional Name: [(E)-(3,4-difluorobenzylidene)amino]-(2-nitro-4-pyrrolidinosulfonyl-phenyl)amine Formula: C17H16F2N4O4S MolecularWeight: 410.395146

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NN=CC3=CC(=C(C=C3)F)F)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N/N=C/C3=CC(=C(C=C3)F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H16F2N4O4S/c18-14-5-3-12(9-15(14)19)11-20-21-16-6-4-13(10-17(16)23(24)25)28(26,27)22-7-1-2-8-22/h3-6,9-11,21H,1-2,7-8H2/b20-11+