dimethyl (2E)-2-[(6-chloranyl-4-oxidanidyl-quinoxalin-4-ium-2-yl)hydrazinylidene]butanedioate

Systemtic Name: dimethyl (2E)-2-[(6-chloranyl-4-oxidanidyl-quinoxalin-4-ium-2-yl)hydrazinylidene]butanedioate Openeye Name: dimethyl (2E)-2-[(6-chloro-4-oxido-quinoxalin-4-ium-2-yl)hydrazono]butanedioate CAS Name: (2E)-2-[(6-chloro-4-oxido-2-quinoxalin-4-iumyl)hydrazinylidene]butanedioic acid dimethyl ester IUPAC Name: dimethyl (2E)-2-[(6-chloro-4-oxidoquinoxalin-4-ium-2-yl)hydrazinylidene]butanedioate Traditional Name: (2E)-2-[(6-chloro-4-oxido-quinoxalin-4-ium-2-yl)hydrazono]succinic acid dimethyl ester Formula: C14H13ClN4O5 MolecularWeight: 352.72982

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(=NNC1=C[N+](=C2C=C(C=CC2=N1)Cl)[O-])C(=O)OC

Isomeric SMILES

COC(=O)C/C(=N\NC1=C[N+](=C2C=C(C=CC2=N1)Cl)[O-])/C(=O)OC

InChI

InChI=1S/C14H13ClN4O5/c1-23-13(20)6-10(14(21)24-2)17-18-12-7-19(22)11-5-8(15)3-4-9(11)16-12/h3-5,7H,6H2,1-2H3,(H,16,18)/b17-10+