ethyl (3S)-4-azanyl-2-methylidene-1,3-dihydro-1,5-benzodiazepine-3-carboxylate

Systemtic Name: ethyl (3S)-4-azanyl-2-methylidene-1,3-dihydro-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl (3S)-4-amino-2-methylene-1,3-dihydro-1,5-benzodiazepine-3-carboxylate CAS Name: (3S)-4-amino-2-methylene-1,3-dihydro-1,5-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl (3S)-4-amino-2-methylidene-1,3-dihydro-1,5-benzodiazepine-3-carboxylate Traditional Name: (3S)-4-amino-2-methylene-1,3-dihydro-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)C1C(=C)NC2=CC=CC=C2N=C1N

Isomeric SMILES

CCOC(=O)[C@H]1C(=C)NC2=CC=CC=C2N=C1N

InChI

InChI=1S/C13H15N3O2/c1-3-18-13(17)11-8(2)15-9-6-4-5-7-10(9)16-12(11)14/h4-7,11,15H,2-3H2,1H3,(H2,14,16)/t11-/m0/s1