3-[2-[[2,6-bis(chloranyl)-3-methyl-phenyl]amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: 3-[2-[[2,6-bis(chloranyl)-3-methyl-phenyl]amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: 3-[2-(2,6-dichloro-3-methyl-anilino)-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylate CAS Name: 3-[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl]-4-oxo-1-phthalazinecarboxylate IUPAC Name: 3-[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylate Traditional Name: 3-[2-(2,6-dichloro-3-methyl-anilino)-2-keto-ethyl]-4-keto-phthalazine-1-carboxylate Formula: C18H12Cl2N3O4- MolecularWeight: 405.21158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)Cl)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)[O-])Cl

Isomeric SMILES

CC1=C(C(=C(C=C1)Cl)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)[O-])Cl

InChI

InChI=1S/C18H13Cl2N3O4/c1-9-6-7-12(19)16(14(9)20)21-13(24)8-23-17(25)11-5-3-2-4-10(11)15(22-23)18(26)27/h2-7H,8H2,1H3,(H,21,24)(H,26,27)/p-1