5-(2-chloranyl-4-nitro-imidazol-1-yl)-3-(4-methylpentyl)-4-oxidanyl-1,3-benzoxazol-2-one

Systemtic Name: 5-(2-chloranyl-4-nitro-imidazol-1-yl)-3-(4-methylpentyl)-4-oxidanyl-1,3-benzoxazol-2-one Openeye Name: 5-(2-chloro-4-nitro-imidazol-1-yl)-4-hydroxy-3-isohexyl-1,3-benzoxazol-2-one CAS Name: 5-(2-chloro-4-nitro-1-imidazolyl)-4-hydroxy-3-(4-methylpentyl)-1,3-benzoxazol-2-one IUPAC Name: 5-(2-chloro-4-nitroimidazol-1-yl)-4-hydroxy-3-(4-methylpentyl)-1,3-benzoxazol-2-one Traditional Name: 5-(2-chloro-4-nitro-imidazol-1-yl)-4-hydroxy-3-isohexyl-1,3-benzoxazol-2-one Formula: C16H17ClN4O5 MolecularWeight: 380.78298

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCN1C2=C(C=CC(=C2O)N3C=C(N=C3Cl)[N+](=O)[O-])OC1=O

Isomeric SMILES

CC(C)CCCN1C2=C(C=CC(=C2O)N3C=C(N=C3Cl)[N+](=O)[O-])OC1=O

InChI

InChI=1S/C16H17ClN4O5/c1-9(2)4-3-7-19-13-11(26-16(19)23)6-5-10(14(13)22)20-8-12(21(24)25)18-15(20)17/h5-6,8-9,22H,3-4,7H2,1-2H3