2-(3,4-dichlorophenyl)ethanoyl-(3-ethoxycarbonyl-4-methyl-1,5-dihydro-1,5-benzodiazepin-2-ylidene)azanium

Systemtic Name: 2-(3,4-dichlorophenyl)ethanoyl-(3-ethoxycarbonyl-4-methyl-1,5-dihydro-1,5-benzodiazepin-2-ylidene)azanium Openeye Name: [2-(3,4-dichlorophenyl)acetyl]-(3-ethoxycarbonyl-4-methyl-1,5-dihydro-1,5-benzodiazepin-2-ylidene)ammonium CAS Name: [2-(3,4-dichlorophenyl)-1-oxoethyl]-(3-ethoxycarbonyl-4-methyl-1,5-dihydro-1,5-benzodiazepin-2-ylidene)ammonium IUPAC Name: [2-(3,4-dichlorophenyl)acetyl]-(3-ethoxycarbonyl-4-methyl-1,5-dihydro-1,5-benzodiazepin-2-ylidene)azanium Traditional Name: (3-carbethoxy-4-methyl-1,5-dihydro-1,5-benzodiazepin-2-ylidene)-[2-(3,4-dichlorophenyl)acetyl]ammonium Formula: C21H20Cl2N3O3+ MolecularWeight: 433.3078

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=CC=CC=C2NC1=[NH+]C(=O)CC3=CC(=C(C=C3)Cl)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(NC2=CC=CC=C2NC1=[NH+]C(=O)CC3=CC(=C(C=C3)Cl)Cl)C

InChI

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