[(Z)-[azanyl-(4-nitrophenyl)methylidene]amino] 1-(4-nitrophenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [(Z)-[azanyl-(4-nitrophenyl)methylidene]amino] 1-(4-nitrophenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [(Z)-[amino-(4-nitrophenyl)methylene]amino] 1-(4-nitrophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-nitrophenyl)sulfonyl-4-piperidinecarboxylic acid [(Z)-[amino-(4-nitrophenyl)methylidene]amino] ester IUPAC Name: [(Z)-[amino-(4-nitrophenyl)methylidene]amino] 1-(4-nitrophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-nosylisonipecotic acid [(Z)-[amino-(4-nitrophenyl)methylene]amino] ester Formula: C19H19N5O8S MolecularWeight: 477.44786

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)ON=C(C2=CC=C(C=C2)[N+](=O)[O-])N)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)O/N=C(/C2=CC=C(C=C2)[N+](=O)[O-])\N)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H19N5O8S/c20-18(13-1-3-15(4-2-13)23(26)27)21-32-19(25)14-9-11-22(12-10-14)33(30,31)17-7-5-16(6-8-17)24(28)29/h1-8,14H,9-12H2,(H2,20,21)