2,2-dimethyl-4-(3-nitro-2-oxidanylidene-pyridin-1-yl)-1,3-benzoxazine-6-carbonitrile

Systemtic Name: 2,2-dimethyl-4-(3-nitro-2-oxidanylidene-pyridin-1-yl)-1,3-benzoxazine-6-carbonitrile Openeye Name: 2,2-dimethyl-4-(3-nitro-2-oxo-1-pyridyl)-1,3-benzoxazine-6-carbonitrile CAS Name: 2,2-dimethyl-4-(3-nitro-2-oxo-1-pyridinyl)-1,3-benzoxazine-6-carbonitrile IUPAC Name: 2,2-dimethyl-4-(3-nitro-2-oxopyridin-1-yl)-1,3-benzoxazine-6-carbonitrile Traditional Name: 4-(2-keto-3-nitro-1-pyridyl)-2,2-dimethyl-1,3-benzoxazine-6-carbonitrile Formula: C16H12N4O4 MolecularWeight: 324.29088

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Descriptors Computed from Structure

Canonical SMILES:

CC1(N=C(C2=C(O1)C=CC(=C2)C#N)N3C=CC=C(C3=O)[N+](=O)[O-])C

Isomeric SMILES

CC1(N=C(C2=C(O1)C=CC(=C2)C#N)N3C=CC=C(C3=O)[N+](=O)[O-])C

InChI

InChI=1S/C16H12N4O4/c1-16(2)18-14(11-8-10(9-17)5-6-13(11)24-16)19-7-3-4-12(15(19)21)20(22)23/h3-8H,1-2H3