4-methyl-2-(5-methyl-2-pyrrolidin-1-yl-1,3-thiazol-4-yl)-6-nitro-phenolate

Systemtic Name: 4-methyl-2-(5-methyl-2-pyrrolidin-1-yl-1,3-thiazol-4-yl)-6-nitro-phenolate Openeye Name: 4-methyl-2-(5-methyl-2-pyrrolidin-1-yl-thiazol-4-yl)-6-nitro-phenolate CAS Name: 4-methyl-2-[5-methyl-2-(1-pyrrolidinyl)-4-thiazolyl]-6-nitrophenolate IUPAC Name: 4-methyl-2-(5-methyl-2-pyrrolidin-1-yl-1,3-thiazol-4-yl)-6-nitrophenolate Traditional Name: 4-methyl-2-(5-methyl-2-pyrrolidino-thiazol-4-yl)-6-nitro-phenolate Formula: C15H16N3O3S- MolecularWeight: 318.37084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C2=C(SC(=N2)N3CCCC3)C)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C(=C1)C2=C(SC(=N2)N3CCCC3)C)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H17N3O3S/c1-9-7-11(14(19)12(8-9)18(20)21)13-10(2)22-15(16-13)17-5-3-4-6-17/h7-8,19H,3-6H2,1-2H3/p-1