6-chloranyl-3-[[4-(6-nitropyridin-3-yl)piperazin-1-yl]methyl]-1,3-benzoxazol-2-one

Systemtic Name: 6-chloranyl-3-[[4-(6-nitropyridin-3-yl)piperazin-1-yl]methyl]-1,3-benzoxazol-2-one Openeye Name: 6-chloro-3-[[4-(6-nitro-3-pyridyl)piperazin-1-yl]methyl]-1,3-benzoxazol-2-one CAS Name: 6-chloro-3-[[4-(6-nitro-3-pyridinyl)-1-piperazinyl]methyl]-1,3-benzoxazol-2-one IUPAC Name: 6-chloro-3-[[4-(6-nitropyridin-3-yl)piperazin-1-yl]methyl]-1,3-benzoxazol-2-one Traditional Name: 6-chloro-3-[[4-(6-nitro-3-pyridyl)piperazino]methyl]-1,3-benzoxazol-2-one Formula: C17H16ClN5O4 MolecularWeight: 389.79304

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C3=C(C=C(C=C3)Cl)OC2=O)C4=CN=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CN2C3=C(C=C(C=C3)Cl)OC2=O)C4=CN=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H16ClN5O4/c18-12-1-3-14-15(9-12)27-17(24)22(14)11-20-5-7-21(8-6-20)13-2-4-16(19-10-13)23(25)26/h1-4,9-10H,5-8,11H2