9-methyl-N-(3-methylbutyl)-N-(4-nitrophenyl)-3-oxidanylidene-4,5-dihydro-1,4-benzoxazepine-5-carboxamide

Systemtic Name: 9-methyl-N-(3-methylbutyl)-N-(4-nitrophenyl)-3-oxidanylidene-4,5-dihydro-1,4-benzoxazepine-5-carboxamide Openeye Name: N-isopentyl-9-methyl-N-(4-nitrophenyl)-3-oxo-4,5-dihydro-1,4-benzoxazepine-5-carboxamide CAS Name: 9-methyl-N-(3-methylbutyl)-N-(4-nitrophenyl)-3-oxo-4,5-dihydro-1,4-benzoxazepine-5-carboxamide IUPAC Name: 9-methyl-N-(3-methylbutyl)-N-(4-nitrophenyl)-3-oxo-4,5-dihydro-1,4-benzoxazepine-5-carboxamide Traditional Name: N-isoamyl-3-keto-9-methyl-N-(4-nitrophenyl)-4,5-dihydro-1,4-benzoxazepine-5-carboxamide Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1OCC(=O)NC2C(=O)N(CCC(C)C)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC2=C1OCC(=O)NC2C(=O)N(CCC(C)C)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O5/c1-14(2)11-12-24(16-7-9-17(10-8-16)25(28)29)22(27)20-18-6-4-5-15(3)21(18)30-13-19(26)23-20/h4-10,14,20H,11-13H2,1-3H3,(H,23,26)