ethyl 5-azanyl-1-(6-chloranyl-4-oxidanidyl-quinoxalin-4-ium-2-yl)pyrazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-1-(6-chloranyl-4-oxidanidyl-quinoxalin-4-ium-2-yl)pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-(6-chloro-4-oxido-quinoxalin-4-ium-2-yl)pyrazole-4-carboxylate CAS Name: 5-amino-1-(6-chloro-4-oxido-2-quinoxalin-4-iumyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-(6-chloro-4-oxidoquinoxalin-4-ium-2-yl)pyrazole-4-carboxylate Traditional Name: 5-amino-1-(6-chloro-4-oxido-quinoxalin-4-ium-2-yl)pyrazole-4-carboxylic acid ethyl ester Formula: C14H12ClN5O3 MolecularWeight: 333.72978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=C[N+](=C3C=C(C=CC3=N2)Cl)[O-])N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=C[N+](=C3C=C(C=CC3=N2)Cl)[O-])N

InChI

InChI=1S/C14H12ClN5O3/c1-2-23-14(21)9-6-17-20(13(9)16)12-7-19(22)11-5-8(15)3-4-10(11)18-12/h3-7H,2,16H2,1H3