2-chloroethyl 5-methyl-3-oxidanidyl-[1,2,3]triazino[5,4-b]indol-3-ium-4-carboxylate

Systemtic Name: 2-chloroethyl 5-methyl-3-oxidanidyl-[1,2,3]triazino[5,4-b]indol-3-ium-4-carboxylate Openeye Name: 2-chloroethyl 5-methyl-3-oxido-triazino[5,4-b]indol-3-ium-4-carboxylate CAS Name: 5-methyl-3-oxido-4-triazino[5,4-b]indol-3-iumcarboxylic acid 2-chloroethyl ester IUPAC Name: 2-chloroethyl 5-methyl-3-oxidotriazino[5,4-b]indol-3-ium-4-carboxylate Traditional Name: 5-methyl-3-oxido-triazin[5,4-b]indol-3-ium-4-carboxylic acid 2-chloroethyl ester Formula: C13H11ClN4O3 MolecularWeight: 306.70444

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C3=C1C(=[N+](N=N3)[O-])C(=O)OCCCl

Isomeric SMILES

CN1C2=CC=CC=C2C3=C1C(=[N+](N=N3)[O-])C(=O)OCCCl

InChI

InChI=1S/C13H11ClN4O3/c1-17-9-5-3-2-4-8(9)10-11(17)12(18(20)16-15-10)13(19)21-7-6-14/h2-5H,6-7H2,1H3