(E)-4-(2,2-dimethyl-6-nitro-3H-1,4-benzoxazin-4-yl)-N,N-dimethyl-4-oxidanylidene-but-2-enamide

Systemtic Name: (E)-4-(2,2-dimethyl-6-nitro-3H-1,4-benzoxazin-4-yl)-N,N-dimethyl-4-oxidanylidene-but-2-enamide Openeye Name: (E)-4-(2,2-dimethyl-6-nitro-3H-1,4-benzoxazin-4-yl)-N,N-dimethyl-4-oxo-but-2-enamide CAS Name: (E)-4-(2,2-dimethyl-6-nitro-3H-1,4-benzoxazin-4-yl)-N,N-dimethyl-4-oxo-2-butenamide IUPAC Name: (E)-4-(2,2-dimethyl-6-nitro-3H-1,4-benzoxazin-4-yl)-N,N-dimethyl-4-oxobut-2-enamide Traditional Name: (E)-4-(2,2-dimethyl-6-nitro-3H-1,4-benzoxazin-4-yl)-4-keto-N,N-dimethyl-but-2-enamide Formula: C16H19N3O5 MolecularWeight: 333.33916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O5/c1-16(2)10-18(15(21)8-7-14(20)17(3)4)12-9-11(19(22)23)5-6-13(12)24-16/h5-9H,10H2,1-4H3/b8-7+