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

Systemtic Name: ethyl 2-azanyl-1H-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl 2-amino-1H-1,5-benzodiazepine-3-carboxylate CAS Name: 2-amino-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-1H-1,5-benzodiazepine-3-carboxylate Traditional Name: 2-amino-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester Formula: C12H13N3O2 MolecularWeight: 231.25052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O2/c1-2-17-12(16)8-7-14-9-5-3-4-6-10(9)15-11(8)13/h3-7,15H,2,13H2,1H3