(1E,5R)-1-(1-chloranylethylidene)-3-ethoxy-2,5-dihydro-2,4-benzodiazepine-5-carboxylate

Systemtic Name: (1E,5R)-1-(1-chloranylethylidene)-3-ethoxy-2,5-dihydro-2,4-benzodiazepine-5-carboxylate Openeye Name: (1E,5R)-1-(1-chloroethylidene)-3-ethoxy-2,5-dihydro-2,4-benzodiazepine-5-carboxylate CAS Name: (1E,5R)-1-(1-chloroethylidene)-3-ethoxy-2,5-dihydro-2,4-benzodiazepine-5-carboxylate IUPAC Name: (1E,5R)-1-(1-chloroethylidene)-3-ethoxy-2,5-dihydro-2,4-benzodiazepine-5-carboxylate Traditional Name: (1E,5R)-1-(1-chloroethylidene)-3-ethoxy-2,5-dihydro-2,4-benzodiazepine-5-carboxylate Formula: C14H14ClN2O3- MolecularWeight: 293.72556

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC(C2=CC=CC=C2C(=C(C)Cl)N1)C(=O)[O-]

Isomeric SMILES

CCOC1=N[C@H](C2=CC=CC=C2/C(=C(/C)\Cl)/N1)C(=O)[O-]

InChI

InChI=1S/C14H15ClN2O3/c1-3-20-14-16-11(8(2)15)9-6-4-5-7-10(9)12(17-14)13(18)19/h4-7,12H,3H2,1-2H3,(H,16,17)(H,18,19)/p-1/b11-8+/t12-/m1/s1