N-[(E)-(1-methylpyrazol-4-yl)methylideneamino]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline

Systemtic Name: N-[(E)-(1-methylpyrazol-4-yl)methylideneamino]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline Openeye Name: N-[(E)-(1-methylpyrazol-4-yl)methyleneamino]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline CAS Name: N-[(E)-(1-methyl-4-pyrazolyl)methylideneamino]-2-nitro-4-(1-pyrrolidinylsulfonyl)aniline IUPAC Name: N-[(E)-(1-methylpyrazol-4-yl)methylideneamino]-2-nitro-4-pyrrolidin-1-ylsulfonylaniline Traditional Name: [(E)-(1-methylpyrazol-4-yl)methyleneamino]-(2-nitro-4-pyrrolidinosulfonyl-phenyl)amine Formula: C15H18N6O4S MolecularWeight: 378.40622

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C=NNC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C=N1)/C=N/NC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C15H18N6O4S/c1-19-11-12(10-17-19)9-16-18-14-5-4-13(8-15(14)21(22)23)26(24,25)20-6-2-3-7-20/h4-5,8-11,18H,2-3,6-7H2,1H3/b16-9+