N-(4-chloranyl-2,5-dimethoxy-phenyl)-2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanamide

Systemtic Name: N-(4-chloranyl-2,5-dimethoxy-phenyl)-2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanamide Openeye Name: N-(4-chloro-2,5-dimethoxy-phenyl)-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide CAS Name: N-(4-chloro-2,5-dimethoxyphenyl)-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide IUPAC Name: N-(4-chloro-2,5-dimethoxyphenyl)-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide Traditional Name: N-(4-chloro-2,5-dimethoxy-phenyl)-2-(3-keto-6-nitro-1,4-benzoxazin-4-yl)acetamide Formula: C18H16ClN3O7 MolecularWeight: 421.78854

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)CN2C(=O)COC3=C2C=C(C=C3)[N+](=O)[O-])OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)CN2C(=O)COC3=C2C=C(C=C3)[N+](=O)[O-])OC)Cl

InChI

InChI=1S/C18H16ClN3O7/c1-27-15-7-12(16(28-2)6-11(15)19)20-17(23)8-21-13-5-10(22(25)26)3-4-14(13)29-9-18(21)24/h3-7H,8-9H2,1-2H3,(H,20,23)