(6Z)-6-(3-butyl-5-pyrrolidin-1-ylcarbonyl-2H-1,2,3-triazol-4-ylidene)-4-nitro-cyclohexa-2,4-dien-1-one

Systemtic Name: (6Z)-6-(3-butyl-5-pyrrolidin-1-ylcarbonyl-2H-1,2,3-triazol-4-ylidene)-4-nitro-cyclohexa-2,4-dien-1-one Openeye Name: (6Z)-6-[3-butyl-5-(pyrrolidine-1-carbonyl)-2H-triazol-4-ylidene]-4-nitro-cyclohexa-2,4-dien-1-one CAS Name: (6Z)-6-[3-butyl-5-[oxo(1-pyrrolidinyl)methyl]-2H-triazol-4-ylidene]-4-nitro-1-cyclohexa-2,4-dienone IUPAC Name: (6Z)-6-[3-butyl-5-(pyrrolidine-1-carbonyl)-2H-triazol-4-ylidene]-4-nitrocyclohexa-2,4-dien-1-one Traditional Name: (6Z)-6-[3-butyl-5-(pyrrolidine-1-carbonyl)-2H-triazol-4-ylidene]-4-nitro-cyclohexa-2,4-dien-1-one Formula: C17H21N5O4 MolecularWeight: 359.37974

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C2C=C(C=CC2=O)[N+](=O)[O-])C(=NN1)C(=O)N3CCCC3

Isomeric SMILES

CCCCN1/C(=C\2/C=C(C=CC2=O)[N+](=O)[O-])/C(=NN1)C(=O)N3CCCC3

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/h6-7,11,19H,2-5,8-10H2,1H3/b16-13-