1-[2-[(2,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-4-nitro-pyrazole-3-carboxamide

Systemtic Name: 1-[2-[(2,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-[2-(2,4-dimethylanilino)-2-oxo-ethyl]-4-nitro-pyrazole-3-carboxamide CAS Name: 1-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-nitropyrazole-3-carboxamide Traditional Name: 1-[2-(2,4-dimethylanilino)-2-keto-ethyl]-4-nitro-pyrazole-3-carboxamide Formula: C14H15N5O4 MolecularWeight: 317.3

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CN2C=C(C(=N2)C(=O)N)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CN2C=C(C(=N2)C(=O)N)[N+](=O)[O-])C

InChI

InChI=1S/C14H15N5O4/c1-8-3-4-10(9(2)5-8)16-12(20)7-18-6-11(19(22)23)13(17-18)14(15)21/h3-6H,7H2,1-2H3,(H2,15,21)(H,16,20)