methyl 2-(2-diethylaminoethyl)-5-[(4-nitrophenyl)amino]-1,2,3-triazole-4-carboxylate hydrochloride

Systemtic Name: methyl 2-(2-diethylaminoethyl)-5-[(4-nitrophenyl)amino]-1,2,3-triazole-4-carboxylate hydrochloride Openeye Name: methyl 2-(2-diethylaminoethyl)-5-(4-nitroanilino)triazole-4-carboxylate hydrochloride CAS Name: 2-(2-diethylaminoethyl)-5-(4-nitroanilino)-4-triazolecarboxylic acid methyl ester hydrochloride IUPAC Name: methyl 2-(2-diethylaminoethyl)-5-(4-nitroanilino)triazole-4-carboxylate hydrochloride Traditional Name: 2-(2-diethylaminoethyl)-5-(4-nitroanilino)triazole-4-carboxylic acid methyl ester hydrochloride Formula: C16H23ClN6O4 MolecularWeight: 398.84462

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1N=C(C(=N1)NC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC.Cl

Isomeric SMILES

CCN(CC)CCN1N=C(C(=N1)NC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC.Cl

InChI

InChI=1S/C16H22N6O4.ClH/c1-4-20(5-2)10-11-21-18-14(16(23)26-3)15(19-21)17-12-6-8-13(9-7-12)22(24)25;/h6-9H,4-5,10-11H2,1-3H3,(H,17,19);1H