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

Systemtic Name: N-[4-(3-methoxypropyl)-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]-4-nitro-benzamide Openeye Name: N-[4-(3-methoxypropyl)-3-oxo-5H-1,4-benzoxazepin-7-yl]-4-nitro-benzamide CAS Name: N-[4-(3-methoxypropyl)-3-oxo-5H-1,4-benzoxazepin-7-yl]-4-nitrobenzamide IUPAC Name: N-[4-(3-methoxypropyl)-3-oxo-5H-1,4-benzoxazepin-7-yl]-4-nitrobenzamide Traditional Name: N-[3-keto-4-(3-methoxypropyl)-5H-1,4-benzoxazepin-7-yl]-4-nitro-benzamide Formula: C20H21N3O6 MolecularWeight: 399.39724

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1CC2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])OCC1=O

Isomeric SMILES

COCCCN1CC2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])OCC1=O

InChI

InChI=1S/C20H21N3O6/c1-28-10-2-9-22-12-15-11-16(5-8-18(15)29-13-19(22)24)21-20(25)14-3-6-17(7-4-14)23(26)27/h3-8,11H,2,9-10,12-13H2,1H3,(H,21,25)