3-[2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-[[(3,4-dimethylanilino)-oxomethyl]amino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-[(3,4-dimethylphenyl)carbamoylamino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C20H18N4O5 MolecularWeight: 394.38072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O)C

InChI

InChI=1S/C20H18N4O5/c1-11-7-8-13(9-12(11)2)21-20(29)22-16(25)10-24-18(26)15-6-4-3-5-14(15)17(23-24)19(27)28/h3-9H,10H2,1-2H3,(H,27,28)(H2,21,22,25,29)