methyl 2-[4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanoylamino]-1,3-thiazole-5-carboxylate

Systemtic Name: methyl 2-[4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanoylamino]-1,3-thiazole-5-carboxylate Openeye Name: methyl 2-[4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanoylamino]thiazole-5-carboxylate CAS Name: 2-[[4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-1-oxobutyl]amino]-5-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanoylamino]-1,3-thiazole-5-carboxylate Traditional Name: 2-[4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)butanoylamino]thiazole-5-carboxylic acid methyl ester Formula: C16H14N4O7S MolecularWeight: 406.36996

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=C(S1)NC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O

Isomeric SMILES

COC(=O)C1=CN=C(S1)NC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O

InChI

InChI=1S/C16H14N4O7S/c1-26-14(22)12-8-17-15(28-12)18-13(21)3-2-6-19-10-5-4-9(20(24)25)7-11(10)27-16(19)23/h4-5,7-8H,2-3,6H2,1H3,(H,17,18,21)