2-[3-(4-butylpiperidin-1-yl)propyl]-6-chloranyl-7-nitro-4H-1,4-benzoxazin-3-one

Systemtic Name: 2-[3-(4-butylpiperidin-1-yl)propyl]-6-chloranyl-7-nitro-4H-1,4-benzoxazin-3-one Openeye Name: 2-[3-(4-butyl-1-piperidyl)propyl]-6-chloro-7-nitro-4H-1,4-benzoxazin-3-one CAS Name: 2-[3-(4-butyl-1-piperidinyl)propyl]-6-chloro-7-nitro-4H-1,4-benzoxazin-3-one IUPAC Name: 2-[3-(4-butylpiperidin-1-yl)propyl]-6-chloro-7-nitro-4H-1,4-benzoxazin-3-one Traditional Name: 2-[3-(4-butylpiperidino)propyl]-6-chloro-7-nitro-4H-1,4-benzoxazin-3-one Formula: C20H28ClN3O4 MolecularWeight: 409.90702

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCN(CC1)CCCC2C(=O)NC3=CC(=C(C=C3O2)[N+](=O)[O-])Cl

Isomeric SMILES

CCCCC1CCN(CC1)CCCC2C(=O)NC3=CC(=C(C=C3O2)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H28ClN3O4/c1-2-3-5-14-7-10-23(11-8-14)9-4-6-18-20(25)22-16-12-15(21)17(24(26)27)13-19(16)28-18/h12-14,18H,2-11H2,1H3,(H,22,25)