methyl 2-[7-chloranyl-3,5-bis(oxidanylidene)-1H-1,4-benzodiazepin-2-ylidene]ethanoate

Systemtic Name: methyl 2-[7-chloranyl-3,5-bis(oxidanylidene)-1H-1,4-benzodiazepin-2-ylidene]ethanoate Openeye Name: methyl 2-(7-chloro-3,5-dioxo-1H-1,4-benzodiazepin-2-ylidene)acetate CAS Name: 2-(7-chloro-3,5-dioxo-1H-1,4-benzodiazepin-2-ylidene)acetic acid methyl ester IUPAC Name: methyl 2-(7-chloro-3,5-dioxo-1H-1,4-benzodiazepin-2-ylidene)acetate Traditional Name: 2-(7-chloro-3,5-diketo-1H-1,4-benzodiazepin-2-ylidene)acetic acid methyl ester Formula: C12H9ClN2O4 MolecularWeight: 280.66386

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=C1C(=O)NC(=O)C2=C(N1)C=CC(=C2)Cl

Isomeric SMILES

COC(=O)C=C1C(=O)NC(=O)C2=C(N1)C=CC(=C2)Cl

InChI

InChI=1S/C12H9ClN2O4/c1-19-10(16)5-9-12(18)15-11(17)7-4-6(13)2-3-8(7)14-9/h2-5,14H,1H3,(H,15,17,18)