[(Z)-[azanyl(phenyl)methylidene]amino] 2-(5-methyl-3-nitro-pyrazol-1-yl)butanoate

Systemtic Name: [(Z)-[azanyl(phenyl)methylidene]amino] 2-(5-methyl-3-nitro-pyrazol-1-yl)butanoate Openeye Name: [(Z)-[amino(phenyl)methylene]amino] 2-(5-methyl-3-nitro-pyrazol-1-yl)butanoate CAS Name: 2-(5-methyl-3-nitro-1-pyrazolyl)butanoic acid [(Z)-[amino(phenyl)methylidene]amino] ester IUPAC Name: [(Z)-[amino(phenyl)methylidene]amino] 2-(5-methyl-3-nitropyrazol-1-yl)butanoate Traditional Name: 2-(5-methyl-3-nitro-pyrazol-1-yl)butyric acid [(Z)-[amino(phenyl)methylene]amino] ester Formula: C15H17N5O4 MolecularWeight: 331.32658

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)ON=C(C1=CC=CC=C1)N)N2C(=CC(=N2)[N+](=O)[O-])C

Isomeric SMILES

CCC(C(=O)O/N=C(/C1=CC=CC=C1)\N)N2C(=CC(=N2)[N+](=O)[O-])C

InChI

InChI=1S/C15H17N5O4/c1-3-12(19-10(2)9-13(17-19)20(22)23)15(21)24-18-14(16)11-7-5-4-6-8-11/h4-9,12H,3H2,1-2H3,(H2,16,18)