N-[2,6-di(propan-2-yl)phenyl]-2-nitro-6,11-dihydrobenzo[c][1]benzoxepine-11-carboxamide

Systemtic Name: N-[2,6-di(propan-2-yl)phenyl]-2-nitro-6,11-dihydrobenzo[c][1]benzoxepine-11-carboxamide Openeye Name: N-(2,6-diisopropylphenyl)-2-nitro-6,11-dihydrobenzo[c][1]benzoxepine-11-carboxamide CAS Name: N-[2,6-di(propan-2-yl)phenyl]-2-nitro-6,11-dihydrobenzo[c][1]benzoxepin-11-carboxamide IUPAC Name: N-[2,6-di(propan-2-yl)phenyl]-2-nitro-6,11-dihydrobenzo[c][1]benzoxepine-11-carboxamide Traditional Name: N-(2,6-diisopropylphenyl)-2-nitro-6,11-dihydrobenzo[c][1]benzoxepin-11-carboxamide Formula: C27H28N2O4 MolecularWeight: 444.52222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)C2C3=CC=CC=C3COC4=C2C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)C2C3=CC=CC=C3COC4=C2C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H28N2O4/c1-16(2)20-10-7-11-21(17(3)4)26(20)28-27(30)25-22-9-6-5-8-18(22)15-33-24-13-12-19(29(31)32)14-23(24)25/h5-14,16-17,25H,15H2,1-4H3,(H,28,30)