4-[(2,2-dimethyl-6-nitro-3H-1,4-benzoxazin-4-yl)amino]butanoyl chloride

Systemtic Name: 4-[(2,2-dimethyl-6-nitro-3H-1,4-benzoxazin-4-yl)amino]butanoyl chloride Openeye Name: 4-[(2,2-dimethyl-6-nitro-3H-1,4-benzoxazin-4-yl)amino]butanoyl chloride CAS Name: 4-[(2,2-dimethyl-6-nitro-3H-1,4-benzoxazin-4-yl)amino]butanoyl chloride IUPAC Name: 4-[(2,2-dimethyl-6-nitro-3H-1,4-benzoxazin-4-yl)amino]butanoyl chloride Traditional Name: 4-[(2,2-dimethyl-6-nitro-3H-1,4-benzoxazin-4-yl)amino]butyryl chloride Formula: C14H18ClN3O4 MolecularWeight: 327.76342

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(C2=C(O1)C=CC(=C2)[N+](=O)[O-])NCCCC(=O)Cl)C

Isomeric SMILES

CC1(CN(C2=C(O1)C=CC(=C2)[N+](=O)[O-])NCCCC(=O)Cl)C

InChI

InChI=1S/C14H18ClN3O4/c1-14(2)9-17(16-7-3-4-13(15)19)11-8-10(18(20)21)5-6-12(11)22-14/h5-6,8,16H,3-4,7,9H2,1-2H3