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

Systemtic Name: 2-methyl-4-[3-[4-(6-nitropyridin-3-yl)piperazin-1-yl]-3-oxidanylidene-propyl]-1,4-benzoxazin-3-one Openeye Name: 2-methyl-4-[3-[4-(6-nitro-3-pyridyl)piperazin-1-yl]-3-oxo-propyl]-1,4-benzoxazin-3-one CAS Name: 2-methyl-4-[3-[4-(6-nitro-3-pyridinyl)-1-piperazinyl]-3-oxopropyl]-1,4-benzoxazin-3-one IUPAC Name: 2-methyl-4-[3-[4-(6-nitropyridin-3-yl)piperazin-1-yl]-3-oxopropyl]-1,4-benzoxazin-3-one Traditional Name: 4-[3-keto-3-[4-(6-nitro-3-pyridyl)piperazino]propyl]-2-methyl-1,4-benzoxazin-3-one Formula: C21H23N5O5 MolecularWeight: 425.43782

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=CC=CC=C2O1)CCC(=O)N3CCN(CC3)C4=CN=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1C(=O)N(C2=CC=CC=C2O1)CCC(=O)N3CCN(CC3)C4=CN=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O5/c1-15-21(28)25(17-4-2-3-5-18(17)31-15)9-8-20(27)24-12-10-23(11-13-24)16-6-7-19(22-14-16)26(29)30/h2-7,14-15H,8-13H2,1H3