N-(2-methoxyethyl)-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl]-3,5-dinitro-benzamide

Systemtic Name: N-(2-methoxyethyl)-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl]-3,5-dinitro-benzamide Openeye Name: N-(2-methoxyethyl)-N-[2-[(5-methylthiazol-2-yl)amino]-2-oxo-ethyl]-3,5-dinitro-benzamide CAS Name: N-(2-methoxyethyl)-N-[2-[(5-methyl-2-thiazolyl)amino]-2-oxoethyl]-3,5-dinitrobenzamide IUPAC Name: N-(2-methoxyethyl)-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-3,5-dinitrobenzamide Traditional Name: N-[2-keto-2-[(5-methylthiazol-2-yl)amino]ethyl]-N-(2-methoxyethyl)-3,5-dinitro-benzamide Formula: C16H17N5O7S MolecularWeight: 423.40048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(S1)NC(=O)CN(CCOC)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CN=C(S1)NC(=O)CN(CCOC)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H17N5O7S/c1-10-8-17-16(29-10)18-14(22)9-19(3-4-28-2)15(23)11-5-12(20(24)25)7-13(6-11)21(26)27/h5-8H,3-4,9H2,1-2H3,(H,17,18,22)