N-methyl-3-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)propanamide

Systemtic Name: N-methyl-3-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)propanamide Openeye Name: N-methyl-3-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)propanamide CAS Name: N-methyl-3-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)propanamide IUPAC Name: N-methyl-3-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)propanamide Traditional Name: 3-(3-keto-6-nitro-1,4-benzoxazin-4-yl)-N-methyl-propionamide Formula: C12H13N3O5 MolecularWeight: 279.24872

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CCN1C(=O)COC2=C1C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CNC(=O)CCN1C(=O)COC2=C1C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H13N3O5/c1-13-11(16)4-5-14-9-6-8(15(18)19)2-3-10(9)20-7-12(14)17/h2-3,6H,4-5,7H2,1H3,(H,13,16)