3-(4,4-dimethyl-2-oxidanylidene-1H-3,1-benzoxazin-6-yl)-4-nitro-benzenecarbonitrile

Systemtic Name: 3-(4,4-dimethyl-2-oxidanylidene-1H-3,1-benzoxazin-6-yl)-4-nitro-benzenecarbonitrile Openeye Name: 3-(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)-4-nitro-benzonitrile CAS Name: 3-(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)-4-nitrobenzonitrile IUPAC Name: 3-(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)-4-nitrobenzonitrile Traditional Name: 3-(2-keto-4,4-dimethyl-1H-3,1-benzoxazin-6-yl)-4-nitro-benzonitrile Formula: C17H13N3O4 MolecularWeight: 323.30282

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)C3=C(C=CC(=C3)C#N)[N+](=O)[O-])NC(=O)O1)C

Isomeric SMILES

CC1(C2=C(C=CC(=C2)C3=C(C=CC(=C3)C#N)[N+](=O)[O-])NC(=O)O1)C

InChI

InChI=1S/C17H13N3O4/c1-17(2)13-8-11(4-5-14(13)19-16(21)24-17)12-7-10(9-18)3-6-15(12)20(22)23/h3-8H,1-2H3,(H,19,21)