[2-[(2-chloranyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxylate

Systemtic Name: [2-[(2-chloranyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxylate Openeye Name: [2-(2-chloro-5-nitro-anilino)-2-oxo-ethyl] 3-isopropyl-4-oxo-phthalazine-1-carboxylate CAS Name: 4-oxo-3-propan-2-yl-1-phthalazinecarboxylic acid [2-(2-chloro-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-5-nitroanilino)-2-oxoethyl] 4-oxo-3-propan-2-ylphthalazine-1-carboxylate Traditional Name: 3-isopropyl-4-keto-phthalazine-1-carboxylic acid [2-(2-chloro-5-nitro-anilino)-2-keto-ethyl] ester Formula: C20H17ClN4O6 MolecularWeight: 444.82518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H17ClN4O6/c1-11(2)24-19(27)14-6-4-3-5-13(14)18(23-24)20(28)31-10-17(26)22-16-9-12(25(29)30)7-8-15(16)21/h3-9,11H,10H2,1-2H3,(H,22,26)