N-(3,5-dimethyl-6-oxidanylidene-benzo[b][1,4]benzoxazepin-8-yl)-5-nitro-furan-2-carboxamide

Systemtic Name: N-(3,5-dimethyl-6-oxidanylidene-benzo[b][1,4]benzoxazepin-8-yl)-5-nitro-furan-2-carboxamide Openeye Name: N-(3,5-dimethyl-6-oxo-benzo[b][1,4]benzoxazepin-8-yl)-5-nitro-furan-2-carboxamide CAS Name: N-(3,5-dimethyl-6-oxo-8-benzo[b][1,4]benzoxazepinyl)-5-nitro-2-furancarboxamide IUPAC Name: N-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)-5-nitrofuran-2-carboxamide Traditional Name: N-(6-keto-3,5-dimethyl-benzo[b][1,4]benzoxazepin-8-yl)-5-nitro-2-furamide Formula: C20H15N3O6 MolecularWeight: 393.3496

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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=C(O4)[N+](=O)[O-])C(=O)N2C

Isomeric SMILES

CC1=CC2=C(C=C1)OC3=C(C=C(C=C3)NC(=O)C4=CC=C(O4)[N+](=O)[O-])C(=O)N2C

InChI

InChI=1S/C20H15N3O6/c1-11-3-5-16-14(9-11)22(2)20(25)13-10-12(4-6-15(13)28-16)21-19(24)17-7-8-18(29-17)23(26)27/h3-10H,1-2H3,(H,21,24)