(2Z)-2-[(5R)-3-chloranyl-5-ethoxy-2,5-dihydro-2,4-benzodiazepin-1-ylidene]propanoate

Systemtic Name: (2Z)-2-[(5R)-3-chloranyl-5-ethoxy-2,5-dihydro-2,4-benzodiazepin-1-ylidene]propanoate Openeye Name: (2Z)-2-[(5R)-3-chloro-5-ethoxy-2,5-dihydro-2,4-benzodiazepin-1-ylidene]propanoate CAS Name: (2Z)-2-[(5R)-3-chloro-5-ethoxy-2,5-dihydro-2,4-benzodiazepin-1-ylidene]propanoate IUPAC Name: (2Z)-2-[(5R)-3-chloro-5-ethoxy-2,5-dihydro-2,4-benzodiazepin-1-ylidene]propanoate Traditional Name: (2Z)-2-[(5R)-3-chloro-5-ethoxy-2,5-dihydro-2,4-benzodiazepin-1-ylidene]propionate Formula: C14H14ClN2O3- MolecularWeight: 293.72556

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1C2=CC=CC=C2C(=C(C)C(=O)[O-])NC(=N1)Cl

Isomeric SMILES

CCO[C@@H]1C2=CC=CC=C2/C(=C(\C)/C(=O)[O-])/NC(=N1)Cl

InChI

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