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

Systemtic Name: [2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-ethyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-(4-methyl-3-nitro-anilino)-2-oxo-ethyl] 3-ethyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-ethyl-4-oxo-1-phthalazinecarboxylic acid [2-(4-methyl-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitroanilino)-2-oxoethyl] 3-ethyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-ethyl-4-keto-phthalazine-1-carboxylic acid [2-keto-2-(4-methyl-3-nitro-anilino)ethyl] ester Formula: C20H18N4O6 MolecularWeight: 410.38012

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC3=CC(=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC3=CC(=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C20H18N4O6/c1-3-23-19(26)15-7-5-4-6-14(15)18(22-23)20(27)30-11-17(25)21-13-9-8-12(2)16(10-13)24(28)29/h4-10H,3,11H2,1-2H3,(H,21,25)