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

Systemtic Name: 9-methyl-N-(4-nitrophenyl)-3-oxidanylidene-N-propyl-4,5-dihydro-1,4-benzoxazepine-5-carboxamide Openeye Name: 9-methyl-N-(4-nitrophenyl)-3-oxo-N-propyl-4,5-dihydro-1,4-benzoxazepine-5-carboxamide CAS Name: 9-methyl-N-(4-nitrophenyl)-3-oxo-N-propyl-4,5-dihydro-1,4-benzoxazepine-5-carboxamide IUPAC Name: 9-methyl-N-(4-nitrophenyl)-3-oxo-N-propyl-4,5-dihydro-1,4-benzoxazepine-5-carboxamide Traditional Name: 3-keto-9-methyl-N-(4-nitrophenyl)-N-propyl-4,5-dihydro-1,4-benzoxazepine-5-carboxamide Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O5/c1-3-11-22(14-7-9-15(10-8-14)23(26)27)20(25)18-16-6-4-5-13(2)19(16)28-12-17(24)21-18/h4-10,18H,3,11-12H2,1-2H3,(H,21,24)