ethyl 4-[2-(3-aminocarbonyl-2,6-dimethyl-pyridin-1-ium-4-yl)hydrazinyl]benzoate

Systemtic Name: ethyl 4-[2-(3-aminocarbonyl-2,6-dimethyl-pyridin-1-ium-4-yl)hydrazinyl]benzoate Openeye Name: ethyl 4-[2-(3-carbamoyl-2,6-dimethyl-pyridin-1-ium-4-yl)hydrazino]benzoate CAS Name: 4-[(3-carbamoyl-2,6-dimethyl-4-pyridin-1-iumyl)hydrazo]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(3-carbamoyl-2,6-dimethylpyridin-1-ium-4-yl)hydrazinyl]benzoate Traditional Name: 4-[N'-(3-carbamoyl-2,6-dimethyl-pyridin-1-ium-4-yl)hydrazino]benzoic acid ethyl ester Formula: C17H21N4O3+ MolecularWeight: 329.37364

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NNC2=CC(=[NH+]C(=C2C(=O)N)C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NNC2=CC(=[NH+]C(=C2C(=O)N)C)C

InChI

InChI=1S/C17H20N4O3/c1-4-24-17(23)12-5-7-13(8-6-12)20-21-14-9-10(2)19-11(3)15(14)16(18)22/h5-9,20H,4H2,1-3H3,(H2,18,22)(H,19,21)/p+1