N-[2-ethyl-4-(3-methoxypropyl)-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]-4-nitro-benzamide

Systemtic Name: N-[2-ethyl-4-(3-methoxypropyl)-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]-4-nitro-benzamide Openeye Name: N-[2-ethyl-4-(3-methoxypropyl)-3-oxo-5H-1,4-benzoxazepin-7-yl]-4-nitro-benzamide CAS Name: N-[2-ethyl-4-(3-methoxypropyl)-3-oxo-5H-1,4-benzoxazepin-7-yl]-4-nitrobenzamide IUPAC Name: N-[2-ethyl-4-(3-methoxypropyl)-3-oxo-5H-1,4-benzoxazepin-7-yl]-4-nitrobenzamide Traditional Name: N-[2-ethyl-3-keto-4-(3-methoxypropyl)-5H-1,4-benzoxazepin-7-yl]-4-nitro-benzamide Formula: C22H25N3O6 MolecularWeight: 427.4504

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])CCCOC

Isomeric SMILES

CCC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])CCCOC

InChI

InChI=1S/C22H25N3O6/c1-3-19-22(27)24(11-4-12-30-2)14-16-13-17(7-10-20(16)31-19)23-21(26)15-5-8-18(9-6-15)25(28)29/h5-10,13,19H,3-4,11-12,14H2,1-2H3,(H,23,26)