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

Systemtic Name: 4-(5-chloranyl-3-nitro-pyridin-2-yl)oxy-2,2-dimethyl-1,3-benzoxazine-6-carbonitrile Openeye Name: 4-[(5-chloro-3-nitro-2-pyridyl)oxy]-2,2-dimethyl-1,3-benzoxazine-6-carbonitrile CAS Name: 4-[(5-chloro-3-nitro-2-pyridinyl)oxy]-2,2-dimethyl-1,3-benzoxazine-6-carbonitrile IUPAC Name: 4-(5-chloro-3-nitropyridin-2-yl)oxy-2,2-dimethyl-1,3-benzoxazine-6-carbonitrile Traditional Name: 4-[(5-chloro-3-nitro-2-pyridyl)oxy]-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)OC3=NC=C(C=C3[N+](=O)[O-])Cl)C

Isomeric SMILES

CC1(N=C(C2=C(O1)C=CC(=C2)C#N)OC3=NC=C(C=C3[N+](=O)[O-])Cl)C

InChI

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