[4-(2-methyl-5-nitro-phenyl)sulfonyliminocyclohexa-2,5-dien-1-ylidene]-pyrrolidin-1-yl-methanolate

Systemtic Name: [4-(2-methyl-5-nitro-phenyl)sulfonyliminocyclohexa-2,5-dien-1-ylidene]-pyrrolidin-1-yl-methanolate Openeye Name: [4-(2-methyl-5-nitro-phenyl)sulfonyliminocyclohexa-2,5-dien-1-ylidene]-pyrrolidin-1-yl-methanolate CAS Name: [4-(2-methyl-5-nitrophenyl)sulfonylimino-1-cyclohexa-2,5-dienylidene]-(1-pyrrolidinyl)methanolate IUPAC Name: [4-(2-methyl-5-nitrophenyl)sulfonyliminocyclohexa-2,5-dien-1-ylidene]-pyrrolidin-1-ylmethanolate Traditional Name: [4-(2-methyl-5-nitro-phenyl)sulfonyliminocyclohexa-2,5-dien-1-ylidene]-pyrrolidino-methanolate Formula: C18H18N3O5S- MolecularWeight: 388.41762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N=C2C=CC(=C(N3CCCC3)[O-])C=C2

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N=C2C=CC(=C(N3CCCC3)[O-])C=C2

InChI

InChI=1S/C18H19N3O5S/c1-13-4-9-16(21(23)24)12-17(13)27(25,26)19-15-7-5-14(6-8-15)18(22)20-10-2-3-11-20/h4-9,12,22H,2-3,10-11H2,1H3/p-1