5-nitro-3-[2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-1,3-benzoxazol-2-one

Systemtic Name: 5-nitro-3-[2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-1,3-benzoxazol-2-one Openeye Name: 5-nitro-3-[2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]-1,3-benzoxazol-2-one CAS Name: 5-nitro-3-[2-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]-1,3-benzoxazol-2-one IUPAC Name: 5-nitro-3-[2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one Traditional Name: 3-[2-keto-2-[4-(3-nitrophenyl)sulfonylpiperazino]ethyl]-5-nitro-1,3-benzoxazol-2-one Formula: C19H17N5O9S MolecularWeight: 491.43138

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CN2C3=C(C=CC(=C3)[N+](=O)[O-])OC2=O)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(=O)CN2C3=C(C=CC(=C3)[N+](=O)[O-])OC2=O)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H17N5O9S/c25-18(12-22-16-11-14(24(29)30)4-5-17(16)33-19(22)26)20-6-8-21(9-7-20)34(31,32)15-3-1-2-13(10-15)23(27)28/h1-5,10-11H,6-9,12H2