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

Systemtic Name: [2-[(2-chloranyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-hexyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-(2-chloro-5-nitro-anilino)-2-oxo-ethyl] 3-hexyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-hexyl-4-oxo-1-phthalazinecarboxylic acid [2-(2-chloro-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-5-nitroanilino)-2-oxoethyl] 3-hexyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-hexyl-4-keto-phthalazine-1-carboxylic acid [2-(2-chloro-5-nitro-anilino)-2-keto-ethyl] ester Formula: C23H23ClN4O6 MolecularWeight: 486.90492

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C23H23ClN4O6/c1-2-3-4-7-12-27-22(30)17-9-6-5-8-16(17)21(26-27)23(31)34-14-20(29)25-19-13-15(28(32)33)10-11-18(19)24/h5-6,8-11,13H,2-4,7,12,14H2,1H3,(H,25,29)