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

Systemtic Name: 4-[(E)-N-[2-(4-bromanyl-3,5-dimethyl-1H-pyrazol-2-ium-2-yl)ethanoylamino]-C-methyl-carbonimidoyl]-2-methoxy-phenolate Openeye Name: 4-[(E)-N-[[2-(4-bromo-3,5-dimethyl-1H-pyrazol-2-ium-2-yl)acetyl]amino]-C-methyl-carbonimidoyl]-2-methoxy-phenolate CAS Name: 4-[(1E)-1-[[2-(4-bromo-3,5-dimethyl-1H-pyrazol-2-ium-2-yl)-1-oxoethyl]hydrazinylidene]ethyl]-2-methoxyphenolate IUPAC Name: 4-[(E)-N-[[2-(4-bromo-3,5-dimethyl-1H-pyrazol-2-ium-2-yl)acetyl]amino]-C-methylcarbonimidoyl]-2-methoxyphenolate Traditional Name: 4-[(E)-N-[[2-(4-bromo-3,5-dimethyl-1H-pyrazol-2-ium-2-yl)acetyl]amino]-C-methyl-carbonimidoyl]-2-methoxy-phenolate Formula: C16H19BrN4O3 MolecularWeight: 395.25106

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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-])OC)C)Br

Isomeric SMILES

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

InChI

InChI=1S/C16H19BrN4O3/c1-9(12-5-6-13(22)14(7-12)24-4)18-19-15(23)8-21-11(3)16(17)10(2)20-21/h5-7H,8H2,1-4H3,(H2,18,19,22,23)