N-(3,5-dimethyl-6-oxidanylidene-benzo[b][1,4]benzoxazepin-8-yl)-3-nitro-benzamide

Systemtic Name: N-(3,5-dimethyl-6-oxidanylidene-benzo[b][1,4]benzoxazepin-8-yl)-3-nitro-benzamide Openeye Name: N-(3,5-dimethyl-6-oxo-benzo[b][1,4]benzoxazepin-8-yl)-3-nitro-benzamide CAS Name: N-(3,5-dimethyl-6-oxo-8-benzo[b][1,4]benzoxazepinyl)-3-nitrobenzamide IUPAC Name: N-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)-3-nitrobenzamide Traditional Name: N-(6-keto-3,5-dimethyl-benzo[b][1,4]benzoxazepin-8-yl)-3-nitro-benzamide Formula: C22H17N3O5 MolecularWeight: 403.38748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC3=C(C=C(C=C3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)N2C

Isomeric SMILES

CC1=CC2=C(C=C1)OC3=C(C=C(C=C3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)N2C

InChI

InChI=1S/C22H17N3O5/c1-13-6-8-20-18(10-13)24(2)22(27)17-12-15(7-9-19(17)30-20)23-21(26)14-4-3-5-16(11-14)25(28)29/h3-12H,1-2H3,(H,23,26)