methyl (3Z)-2-(6-chloranyl-3-oxidanylidene-4H-quinoxalin-2-yl)-3-diazanylidene-4-[(3,4-dimethylphenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: methyl (3Z)-2-(6-chloranyl-3-oxidanylidene-4H-quinoxalin-2-yl)-3-diazanylidene-4-[(3,4-dimethylphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: methyl (3Z)-2-(6-chloro-3-oxo-4H-quinoxalin-2-yl)-4-(3,4-dimethylanilino)-3-hydrazinylidene-4-oxo-butanoate CAS Name: (3Z)-2-(6-chloro-3-oxo-4H-quinoxalin-2-yl)-4-(3,4-dimethylanilino)-3-hydrazinylidene-4-oxobutanoic acid methyl ester IUPAC Name: methyl (3Z)-2-(6-chloro-3-oxo-4H-quinoxalin-2-yl)-4-(3,4-dimethylanilino)-3-hydrazinylidene-4-oxobutanoate Traditional Name: (3Z)-2-(6-chloro-3-keto-4H-quinoxalin-2-yl)-4-(3,4-dimethylanilino)-3-hydrazono-4-keto-butyric acid methyl ester Formula: C21H20ClN5O4 MolecularWeight: 441.8676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(=NN)C(C2=NC3=C(C=C(C=C3)Cl)NC2=O)C(=O)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)/C(=N\N)/C(C2=NC3=C(C=C(C=C3)Cl)NC2=O)C(=O)OC)C

InChI

InChI=1S/C21H20ClN5O4/c1-10-4-6-13(8-11(10)2)24-20(29)18(27-23)16(21(30)31-3)17-19(28)26-15-9-12(22)5-7-14(15)25-17/h4-9,16H,23H2,1-3H3,(H,24,29)(H,26,28)/b27-18-