2-(3-butyl-5-pyrrolidin-1-ylcarbonyl-1,2,3-triazol-4-yl)-4-nitro-phenolate

Systemtic Name: 2-(3-butyl-5-pyrrolidin-1-ylcarbonyl-1,2,3-triazol-4-yl)-4-nitro-phenolate Openeye Name: 2-[3-butyl-5-(pyrrolidine-1-carbonyl)triazol-4-yl]-4-nitro-phenolate CAS Name: 2-[3-butyl-5-[oxo(1-pyrrolidinyl)methyl]-4-triazolyl]-4-nitrophenolate IUPAC Name: 2-[3-butyl-5-(pyrrolidine-1-carbonyl)triazol-4-yl]-4-nitrophenolate Traditional Name: 2-[3-butyl-5-(pyrrolidine-1-carbonyl)triazol-4-yl]-4-nitro-phenolate Formula: C17H20N5O4- MolecularWeight: 358.3718

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(N=N1)C(=O)N2CCCC2)C3=C(C=CC(=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

CCCCN1C(=C(N=N1)C(=O)N2CCCC2)C3=C(C=CC(=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C17H21N5O4/c1-2-3-10-21-16(13-11-12(22(25)26)6-7-14(13)23)15(18-19-21)17(24)20-8-4-5-9-20/h6-7,11,23H,2-5,8-10H2,1H3/p-1