4-[(E)-N-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-2-ium-2-yl)ethanoylamino]-C-methyl-carbonimidoyl]phenolate

Systemtic Name: 4-[(E)-N-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-2-ium-2-yl)ethanoylamino]-C-methyl-carbonimidoyl]phenolate Openeye Name: 4-[(E)-N-[[2-(3,5-dimethyl-4-nitro-1H-pyrazol-2-ium-2-yl)acetyl]amino]-C-methyl-carbonimidoyl]phenolate CAS Name: 4-[(1E)-1-[[2-(3,5-dimethyl-4-nitro-1H-pyrazol-2-ium-2-yl)-1-oxoethyl]hydrazinylidene]ethyl]phenolate IUPAC Name: 4-[(E)-N-[[2-(3,5-dimethyl-4-nitro-1H-pyrazol-2-ium-2-yl)acetyl]amino]-C-methylcarbonimidoyl]phenolate Traditional Name: 4-[(E)-N-[[2-(3,5-dimethyl-4-nitro-1H-pyrazol-2-ium-2-yl)acetyl]amino]-C-methyl-carbonimidoyl]phenolate Formula: C15H17N5O4 MolecularWeight: 331.32658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=[N+](N1)CC(=O)NN=C(C)C2=CC=C(C=C2)[O-])C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=[N+](N1)CC(=O)N/N=C(\C)/C2=CC=C(C=C2)[O-])C)[N+](=O)[O-]

InChI

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