methyl (3Z)-3-(carbamothioylhydrazinylidene)-4-[(2-nitrophenyl)amino]-4-oxidanylidene-2-quinoxalin-2-yl-butanoate

Systemtic Name: methyl (3Z)-3-(carbamothioylhydrazinylidene)-4-[(2-nitrophenyl)amino]-4-oxidanylidene-2-quinoxalin-2-yl-butanoate Openeye Name: methyl (3Z)-3-(carbamothioylhydrazono)-4-(2-nitroanilino)-4-oxo-2-quinoxalin-2-yl-butanoate CAS Name: (3Z)-3-(carbamothioylhydrazinylidene)-4-(2-nitroanilino)-4-oxo-2-(2-quinoxalinyl)butanoic acid methyl ester IUPAC Name: methyl (3Z)-3-(carbamothioylhydrazinylidene)-4-(2-nitroanilino)-4-oxo-2-quinoxalin-2-ylbutanoate Traditional Name: (3Z)-4-keto-4-(2-nitroanilino)-2-quinoxalin-2-yl-3-(thiocarbamoylhydrazono)butyric acid methyl ester Formula: C20H17N7O5S MolecularWeight: 467.45788

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=NC2=CC=CC=C2N=C1)C(=NNC(=S)N)C(=O)NC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

COC(=O)C(C1=NC2=CC=CC=C2N=C1)/C(=N/NC(=S)N)/C(=O)NC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H17N7O5S/c1-32-19(29)16(14-10-22-11-6-2-3-7-12(11)23-14)17(25-26-20(21)33)18(28)24-13-8-4-5-9-15(13)27(30)31/h2-10,16H,1H3,(H,24,28)(H3,21,26,33)/b25-17-