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

Systemtic Name: N-[4-(3-methoxypropyl)-2-methyl-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]-4-nitro-benzamide Openeye Name: N-[4-(3-methoxypropyl)-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl]-4-nitro-benzamide CAS Name: N-[4-(3-methoxypropyl)-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl]-4-nitrobenzamide IUPAC Name: N-[4-(3-methoxypropyl)-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl]-4-nitrobenzamide Traditional Name: N-[3-keto-4-(3-methoxypropyl)-2-methyl-5H-1,4-benzoxazepin-7-yl]-4-nitro-benzamide Formula: C21H23N3O6 MolecularWeight: 413.42382

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])CCCOC

Isomeric SMILES

CC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])CCCOC

InChI

InChI=1S/C21H23N3O6/c1-14-21(26)23(10-3-11-29-2)13-16-12-17(6-9-19(16)30-14)22-20(25)15-4-7-18(8-5-15)24(27)28/h4-9,12,14H,3,10-11,13H2,1-2H3,(H,22,25)