methyl 3-[3-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]propanoylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[3-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]propanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[3-(1,4-dioxo-3H-phthalazin-2-yl)propanoylamino]-4-methyl-benzoate CAS Name: 3-[[3-(1,4-dioxo-3H-phthalazin-2-yl)-1-oxopropyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[3-(1,4-dioxo-3H-phthalazin-2-yl)propanoylamino]-4-methylbenzoate Traditional Name: 3-[3-(1,4-diketo-3H-phthalazin-2-yl)propanoylamino]-4-methyl-benzoic acid methyl ester Formula: C20H19N3O5 MolecularWeight: 381.38196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CCN2C(=O)C3=CC=CC=C3C(=O)N2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CCN2C(=O)C3=CC=CC=C3C(=O)N2

InChI

InChI=1S/C20H19N3O5/c1-12-7-8-13(20(27)28-2)11-16(12)21-17(24)9-10-23-19(26)15-6-4-3-5-14(15)18(25)22-23/h3-8,11H,9-10H2,1-2H3,(H,21,24)(H,22,25)