N-(4-methyl-5-oxidanylidene-2,3-dihydro-1,4-benzoxazepin-7-yl)-5-nitro-furan-2-carboxamide

Systemtic Name: N-(4-methyl-5-oxidanylidene-2,3-dihydro-1,4-benzoxazepin-7-yl)-5-nitro-furan-2-carboxamide Openeye Name: N-(4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)-5-nitro-furan-2-carboxamide CAS Name: N-(4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)-5-nitro-2-furancarboxamide IUPAC Name: N-(4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)-5-nitrofuran-2-carboxamide Traditional Name: N-(5-keto-4-methyl-2,3-dihydro-1,4-benzoxazepin-7-yl)-5-nitro-2-furamide Formula: C15H13N3O6 MolecularWeight: 331.28022

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCOC2=C(C1=O)C=C(C=C2)NC(=O)C3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

CN1CCOC2=C(C1=O)C=C(C=C2)NC(=O)C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C15H13N3O6/c1-17-6-7-23-11-3-2-9(8-10(11)15(17)20)16-14(19)12-4-5-13(24-12)18(21)22/h2-5,8H,6-7H2,1H3,(H,16,19)