4-morpholin-4-yl-3-nitro-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide

Systemtic Name: 4-morpholin-4-yl-3-nitro-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide Openeye Name: 4-morpholino-3-nitro-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide CAS Name: 4-(4-morpholinyl)-3-nitro-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide IUPAC Name: 4-morpholin-4-yl-3-nitro-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide Traditional Name: 4-morpholino-3-nitro-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide Formula: C18H15N5O6S MolecularWeight: 429.4066

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H15N5O6S/c24-17(20-18-19-13-3-2-12(22(25)26)10-16(13)30-18)11-1-4-14(15(9-11)23(27)28)21-5-7-29-8-6-21/h1-4,9-10H,5-8H2,(H,19,20,24)