methyl 2-[3-[2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazin-1-yl]ethanoate

Systemtic Name: methyl 2-[3-[2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazin-1-yl]ethanoate Openeye Name: methyl 2-[3-[2-(3-chloro-4-methyl-anilino)-2-oxo-ethyl]-4-oxo-phthalazin-1-yl]acetate CAS Name: 2-[3-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-4-oxo-1-phthalazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-4-oxophthalazin-1-yl]acetate Traditional Name: 2-[3-[2-(3-chloro-4-methyl-anilino)-2-keto-ethyl]-4-keto-phthalazin-1-yl]acetic acid methyl ester Formula: C20H18ClN3O4 MolecularWeight: 399.82762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClN3O4/c1-12-7-8-13(9-16(12)21)22-18(25)11-24-20(27)15-6-4-3-5-14(15)17(23-24)10-19(26)28-2/h3-9H,10-11H2,1-2H3,(H,22,25)