[2-[(3,5-diaminocarbonylphenyl)amino]-2-oxidanylidene-ethyl] 2-(4-aminocarbonyl-1-oxidanylidene-phthalazin-2-yl)ethanoate

Systemtic Name: [2-[(3,5-diaminocarbonylphenyl)amino]-2-oxidanylidene-ethyl] 2-(4-aminocarbonyl-1-oxidanylidene-phthalazin-2-yl)ethanoate Openeye Name: [2-(3,5-dicarbamoylanilino)-2-oxo-ethyl] 2-(4-carbamoyl-1-oxo-phthalazin-2-yl)acetate CAS Name: 2-(4-carbamoyl-1-oxo-2-phthalazinyl)acetic acid [2-(3,5-dicarbamoylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dicarbamoylanilino)-2-oxoethyl] 2-(4-carbamoyl-1-oxophthalazin-2-yl)acetate Traditional Name: 2-(4-carbamoyl-1-keto-phthalazin-2-yl)acetic acid [2-(3,5-dicarbamoylanilino)-2-keto-ethyl] ester Formula: C21H18N6O7 MolecularWeight: 466.40362

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)OCC(=O)NC3=CC(=CC(=C3)C(=O)N)C(=O)N)C(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)OCC(=O)NC3=CC(=CC(=C3)C(=O)N)C(=O)N)C(=O)N

InChI

InChI=1S/C21H18N6O7/c22-18(30)10-5-11(19(23)31)7-12(6-10)25-15(28)9-34-16(29)8-27-21(33)14-4-2-1-3-13(14)17(26-27)20(24)32/h1-7H,8-9H2,(H2,22,30)(H2,23,31)(H2,24,32)(H,25,28)