5-[(4-tert-butylphenyl)methyl]-2-methyl-8-nitro-benzo[b][1,4]benzoxazepin-6-one

Systemtic Name: 5-[(4-tert-butylphenyl)methyl]-2-methyl-8-nitro-benzo[b][1,4]benzoxazepin-6-one Openeye Name: 5-[(4-tert-butylphenyl)methyl]-2-methyl-8-nitro-benzo[b][1,4]benzoxazepin-6-one CAS Name: 5-[(4-tert-butylphenyl)methyl]-2-methyl-8-nitro-6-benzo[b][1,4]benzoxazepinone IUPAC Name: 5-[(4-tert-butylphenyl)methyl]-2-methyl-8-nitrobenzo[b][1,4]benzoxazepin-6-one Traditional Name: 5-(4-tert-butylbenzyl)-2-methyl-8-nitro-benzo[b][1,4]benzoxazepin-6-one Formula: C25H24N2O4 MolecularWeight: 416.46906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=O)C3=C(O2)C=CC(=C3)[N+](=O)[O-])CC4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=O)C3=C(O2)C=CC(=C3)[N+](=O)[O-])CC4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C25H24N2O4/c1-16-5-11-21-23(13-16)31-22-12-10-19(27(29)30)14-20(22)24(28)26(21)15-17-6-8-18(9-7-17)25(2,3)4/h5-14H,15H2,1-4H3