N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-nitro-3-oxidanyl-benzamide

Systemtic Name: N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-nitro-3-oxidanyl-benzamide Openeye Name: N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-hydroxy-4-nitro-benzamide CAS Name: N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-hydroxy-4-nitrobenzamide IUPAC Name: N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-hydroxy-4-nitrobenzamide Traditional Name: N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-hydroxy-4-nitro-benzamide Formula: C12H10N4O4S MolecularWeight: 306.2972

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(S2)NC(=O)C3=CC(=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

C1CC1C2=NN=C(S2)NC(=O)C3=CC(=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C12H10N4O4S/c17-9-5-7(3-4-8(9)16(19)20)10(18)13-12-15-14-11(21-12)6-1-2-6/h3-6,17H,1-2H2,(H,13,15,18)