6-chloranyl-4-[2-[4-(6-nitropyridin-3-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]-1,4-benzoxazin-3-one

Systemtic Name: 6-chloranyl-4-[2-[4-(6-nitropyridin-3-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]-1,4-benzoxazin-3-one Openeye Name: 6-chloro-4-[2-[4-(6-nitro-3-pyridyl)piperazin-1-yl]-2-oxo-ethyl]-1,4-benzoxazin-3-one CAS Name: 6-chloro-4-[2-[4-(6-nitro-3-pyridinyl)-1-piperazinyl]-2-oxoethyl]-1,4-benzoxazin-3-one IUPAC Name: 6-chloro-4-[2-[4-(6-nitropyridin-3-yl)piperazin-1-yl]-2-oxoethyl]-1,4-benzoxazin-3-one Traditional Name: 6-chloro-4-[2-keto-2-[4-(6-nitro-3-pyridyl)piperazino]ethyl]-1,4-benzoxazin-3-one Formula: C19H18ClN5O5 MolecularWeight: 431.82972

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CN=C(C=C2)[N+](=O)[O-])C(=O)CN3C(=O)COC4=C3C=C(C=C4)Cl

Isomeric SMILES

C1CN(CCN1C2=CN=C(C=C2)[N+](=O)[O-])C(=O)CN3C(=O)COC4=C3C=C(C=C4)Cl

InChI

InChI=1S/C19H18ClN5O5/c20-13-1-3-16-15(9-13)24(19(27)12-30-16)11-18(26)23-7-5-22(6-8-23)14-2-4-17(21-10-14)25(28)29/h1-4,9-10H,5-8,11-12H2