4-[5-chloranyl-4-(2-chloranylethanoylamino)-6-oxidanylidene-pyridazin-1-yl]butyl benzoate

Systemtic Name: 4-[5-chloranyl-4-(2-chloranylethanoylamino)-6-oxidanylidene-pyridazin-1-yl]butyl benzoate Openeye Name: 4-[5-chloro-4-[(2-chloroacetyl)amino]-6-oxo-pyridazin-1-yl]butyl benzoate CAS Name: benzoic acid 4-[5-chloro-4-[(2-chloro-1-oxoethyl)amino]-6-oxo-1-pyridazinyl]butyl ester IUPAC Name: 4-[5-chloro-4-[(2-chloroacetyl)amino]-6-oxopyridazin-1-yl]butyl benzoate Traditional Name: benzoic acid 4-[5-chloro-4-[(2-chloroacetyl)amino]-6-keto-pyridazin-1-yl]butyl ester Formula: C17H17Cl2N3O4 MolecularWeight: 398.24058

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCCCCN2C(=O)C(=C(C=N2)NC(=O)CCl)Cl

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCCCCN2C(=O)C(=C(C=N2)NC(=O)CCl)Cl

InChI

InChI=1S/C17H17Cl2N3O4/c18-10-14(23)21-13-11-20-22(16(24)15(13)19)8-4-5-9-26-17(25)12-6-2-1-3-7-12/h1-3,6-7,11H,4-5,8-10H2,(H,21,23)