ethyl 2-acetamido-2-[7-chloranyl-5-(2-chlorophenyl)-2,3-dihydro-1,4-benzodiazepin-1-ium-1-ylidene]ethanoate

Systemtic Name: ethyl 2-acetamido-2-[7-chloranyl-5-(2-chlorophenyl)-2,3-dihydro-1,4-benzodiazepin-1-ium-1-ylidene]ethanoate Openeye Name: ethyl 2-acetamido-2-[7-chloro-5-(2-chlorophenyl)-2,3-dihydro-1,4-benzodiazepin-1-ium-1-ylidene]acetate CAS Name: 2-acetamido-2-[7-chloro-5-(2-chlorophenyl)-2,3-dihydro-1,4-benzodiazepin-1-ium-1-ylidene]acetic acid ethyl ester IUPAC Name: ethyl 2-acetamido-2-[7-chloro-5-(2-chlorophenyl)-2,3-dihydro-1,4-benzodiazepin-1-ium-1-ylidene]acetate Traditional Name: 2-acetamido-2-[7-chloro-5-(2-chlorophenyl)-2,3-dihydro-1,4-benzodiazepin-1-ium-1-ylidene]acetic acid ethyl ester Formula: C21H20Cl2N3O3+ MolecularWeight: 433.3078

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=[N+]1CCN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3Cl)NC(=O)C

Isomeric SMILES

CCOC(=O)C(=[N+]1CCN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3Cl)NC(=O)C

InChI

InChI=1S/C21H19Cl2N3O3/c1-3-29-21(28)20(25-13(2)27)26-11-10-24-19(15-6-4-5-7-17(15)23)16-12-14(22)8-9-18(16)26/h4-9,12H,3,10-11H2,1-2H3/p+1