2-dimethylaminoethyl 7-chloranyl-4-methyl-5-oxidanylidene-1H-1,2,4-benzotriazepine-3-carboxylate

Systemtic Name: 2-dimethylaminoethyl 7-chloranyl-4-methyl-5-oxidanylidene-1H-1,2,4-benzotriazepine-3-carboxylate Openeye Name: 2-dimethylaminoethyl 7-chloro-4-methyl-5-oxo-1H-1,2,4-benzotriazepine-3-carboxylate CAS Name: 7-chloro-4-methyl-5-oxo-1H-1,2,4-benzotriazepine-3-carboxylic acid 2-dimethylaminoethyl ester IUPAC Name: 2-dimethylaminoethyl 7-chloro-4-methyl-5-oxo-1H-1,2,4-benzotriazepine-3-carboxylate Traditional Name: 7-chloro-5-keto-4-methyl-1H-1,2,4-benzotriazepine-3-carboxylic acid 2-dimethylaminoethyl ester Formula: C14H17ClN4O3 MolecularWeight: 324.76278

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C=CC(=C2)Cl)NN=C1C(=O)OCCN(C)C

Isomeric SMILES

CN1C(=O)C2=C(C=CC(=C2)Cl)NN=C1C(=O)OCCN(C)C

InChI

InChI=1S/C14H17ClN4O3/c1-18(2)6-7-22-14(21)12-17-16-11-5-4-9(15)8-10(11)13(20)19(12)3/h4-5,8,16H,6-7H2,1-3H3