4-(3-chloranyl-5-nitro-2-oxidanylidene-pyridin-1-yl)-2,2-dimethyl-1,3-benzoxazine-6-carbonitrile

Systemtic Name: 4-(3-chloranyl-5-nitro-2-oxidanylidene-pyridin-1-yl)-2,2-dimethyl-1,3-benzoxazine-6-carbonitrile Openeye Name: 4-(3-chloro-5-nitro-2-oxo-1-pyridyl)-2,2-dimethyl-1,3-benzoxazine-6-carbonitrile CAS Name: 4-(3-chloro-5-nitro-2-oxo-1-pyridinyl)-2,2-dimethyl-1,3-benzoxazine-6-carbonitrile IUPAC Name: 4-(3-chloro-5-nitro-2-oxopyridin-1-yl)-2,2-dimethyl-1,3-benzoxazine-6-carbonitrile Traditional Name: 4-(3-chloro-2-keto-5-nitro-1-pyridyl)-2,2-dimethyl-1,3-benzoxazine-6-carbonitrile Formula: C16H11ClN4O4 MolecularWeight: 358.73594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11ClN4O4/c1-16(2)19-14(11-5-9(7-18)3-4-13(11)25-16)20-8-10(21(23)24)6-12(17)15(20)22/h3-6,8H,1-2H3