ethyl 2-azanyl-3,5-dihydro-1,4-benzodiazepine-4-carboxylate

Systemtic Name: ethyl 2-azanyl-3,5-dihydro-1,4-benzodiazepine-4-carboxylate Openeye Name: ethyl 2-amino-3,5-dihydro-1,4-benzodiazepine-4-carboxylate CAS Name: 2-amino-3,5-dihydro-1,4-benzodiazepine-4-carboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-3,5-dihydro-1,4-benzodiazepine-4-carboxylate Traditional Name: 2-amino-3,5-dihydro-1,4-benzodiazepine-4-carboxylic acid ethyl ester Formula: C12H15N3O2 MolecularWeight: 233.2664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC2=CC=CC=C2N=C(C1)N

Isomeric SMILES

CCOC(=O)N1CC2=CC=CC=C2N=C(C1)N

InChI

InChI=1S/C12H15N3O2/c1-2-17-12(16)15-7-9-5-3-4-6-10(9)14-11(13)8-15/h3-6H,2,7-8H2,1H3,(H2,13,14)