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

Systemtic Name: N-(3-methyl-6-oxidanylidene-5H-benzo[b][1,4]benzoxazepin-8-yl)-3-nitro-benzamide Openeye Name: N-(3-methyl-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-3-nitro-benzamide CAS Name: N-(3-methyl-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-3-nitrobenzamide IUPAC Name: N-(3-methyl-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-3-nitrobenzamide Traditional Name: N-(6-keto-3-methyl-5H-benzo[b][1,4]benzoxazepin-8-yl)-3-nitro-benzamide Formula: C21H15N3O5 MolecularWeight: 389.3609

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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)N2

Isomeric SMILES

CC1=CC2=C(C=C1)OC3=C(C=C(C=C3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)N2

InChI

InChI=1S/C21H15N3O5/c1-12-5-7-19-17(9-12)23-21(26)16-11-14(6-8-18(16)29-19)22-20(25)13-3-2-4-15(10-13)24(27)28/h2-11H,1H3,(H,22,25)(H,23,26)