ethyl 4-azanyl-2-methyl-1H-1,5-benzodiazepine-3-carboxylate

Systemtic Name: ethyl 4-azanyl-2-methyl-1H-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl 4-amino-2-methyl-1H-1,5-benzodiazepine-3-carboxylate CAS Name: 4-amino-2-methyl-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-methyl-1H-1,5-benzodiazepine-3-carboxylate Traditional Name: 4-amino-2-methyl-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester Formula: C13H15N3O2 MolecularWeight: 245.2771

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=CC=CC=C2N=C1N)C

Isomeric SMILES

CCOC(=O)C1=C(NC2=CC=CC=C2N=C1N)C

InChI

InChI=1S/C13H15N3O2/c1-3-18-13(17)11-8(2)15-9-6-4-5-7-10(9)16-12(11)14/h4-7,15H,3H2,1-2H3,(H2,14,16)