5-(hydroxymethyl)-2-methyl-4-[[2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)hydrazinyl]methylidene]pyridin-3-one

Systemtic Name: 5-(hydroxymethyl)-2-methyl-4-[[2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)hydrazinyl]methylidene]pyridin-3-one Openeye Name: 5-(hydroxymethyl)-2-methyl-4-[[2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)hydrazino]methylene]pyridin-3-one CAS Name: 5-(hydroxymethyl)-2-methyl-4-[[[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]hydrazo]methylidene]-3-pyridinone IUPAC Name: 5-(hydroxymethyl)-2-methyl-4-[[2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)hydrazinyl]methylidene]pyridin-3-one Traditional Name: 2-methyl-5-methylol-4-[[N'-(2-nitro-4-pyrrolidinosulfonyl-phenyl)hydrazino]methylene]pyridin-3-one Formula: C18H21N5O6S MolecularWeight: 435.45424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=CNNC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-])C1=O)CO

Isomeric SMILES

CC1=NC=C(C(=CNNC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-])C1=O)CO

InChI

InChI=1S/C18H21N5O6S/c1-12-18(25)15(13(11-24)9-19-12)10-20-21-16-5-4-14(8-17(16)23(26)27)30(28,29)22-6-2-3-7-22/h4-5,8-10,20-21,24H,2-3,6-7,11H2,1H3