4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide

Systemtic Name: 4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide Openeye Name: 4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide CAS Name: 4-(3,5-dimethyl-4-nitro-1-pyrazolyl)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide IUPAC Name: 4-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide Traditional Name: 4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)butyramide Formula: C16H16N6O5S MolecularWeight: 404.40044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CCCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C)[N+](=O)[O-]

InChI

InChI=1S/C16H16N6O5S/c1-9-15(22(26)27)10(2)20(19-9)7-3-4-14(23)18-16-17-12-6-5-11(21(24)25)8-13(12)28-16/h5-6,8H,3-4,7H2,1-2H3,(H,17,18,23)