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

Systemtic Name: 9-methyl-N-(4-nitrophenyl)-3-oxidanylidene-N-pentyl-4,5-dihydro-1,4-benzoxazepine-5-carboxamide Openeye Name: 9-methyl-N-(4-nitrophenyl)-3-oxo-N-pentyl-4,5-dihydro-1,4-benzoxazepine-5-carboxamide CAS Name: 9-methyl-N-(4-nitrophenyl)-3-oxo-N-pentyl-4,5-dihydro-1,4-benzoxazepine-5-carboxamide IUPAC Name: 9-methyl-N-(4-nitrophenyl)-3-oxo-N-pentyl-4,5-dihydro-1,4-benzoxazepine-5-carboxamide Traditional Name: N-amyl-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:

CCCCCN(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)C2C3=C(C(=CC=C3)C)OCC(=O)N2

Isomeric SMILES

CCCCCN(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)C2C3=C(C(=CC=C3)C)OCC(=O)N2

InChI

InChI=1S/C22H25N3O5/c1-3-4-5-13-24(16-9-11-17(12-10-16)25(28)29)22(27)20-18-8-6-7-15(2)21(18)30-14-19(26)23-20/h6-12,20H,3-5,13-14H2,1-2H3,(H,23,26)