[1-[(2-chloranyl-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 1-ethylbenzotriazole-5-carboxylate

Systemtic Name: [1-[(2-chloranyl-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 1-ethylbenzotriazole-5-carboxylate Openeye Name: [2-(2-chloro-5-nitro-anilino)-1-methyl-2-oxo-ethyl] 1-ethylbenzotriazole-5-carboxylate CAS Name: 1-ethyl-5-benzotriazolecarboxylic acid [1-(2-chloro-5-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-chloro-5-nitroanilino)-1-oxopropan-2-yl] 1-ethylbenzotriazole-5-carboxylate Traditional Name: 1-ethylbenzotriazole-5-carboxylic acid [2-(2-chloro-5-nitro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C18H16ClN5O5 MolecularWeight: 417.80314

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OC(C)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OC(C)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl)N=N1

InChI

InChI=1S/C18H16ClN5O5/c1-3-23-16-7-4-11(8-15(16)21-22-23)18(26)29-10(2)17(25)20-14-9-12(24(27)28)5-6-13(14)19/h4-10H,3H2,1-2H3,(H,20,25)