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

Systemtic Name: [2-[(5-chloranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 1-ethylbenzotriazole-5-carboxylate Openeye Name: [2-(5-chloro-2-nitro-anilino)-2-oxo-ethyl] 1-ethylbenzotriazole-5-carboxylate CAS Name: 1-ethyl-5-benzotriazolecarboxylic acid [2-(5-chloro-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-chloro-2-nitroanilino)-2-oxoethyl] 1-ethylbenzotriazole-5-carboxylate Traditional Name: 1-ethylbenzotriazole-5-carboxylic acid [2-(5-chloro-2-nitro-anilino)-2-keto-ethyl] ester Formula: C17H14ClN5O5 MolecularWeight: 403.77656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14ClN5O5/c1-2-22-14-5-3-10(7-13(14)20-21-22)17(25)28-9-16(24)19-12-8-11(18)4-6-15(12)23(26)27/h3-8H,2,9H2,1H3,(H,19,24)