N-(2-methyl-4-nitro-phenyl)azepane-1-carboxamide

Systemtic Name: N-(2-methyl-4-nitro-phenyl)azepane-1-carboxamide Openeye Name: N-(2-methyl-4-nitro-phenyl)azepane-1-carboxamide CAS Name: N-(2-methyl-4-nitrophenyl)-1-azepanecarboxamide IUPAC Name: N-(2-methyl-4-nitrophenyl)azepane-1-carboxamide Traditional Name: N-(2-methyl-4-nitro-phenyl)azepane-1-carboxamide Formula: C14H19N3O3 MolecularWeight: 277.31896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)N2CCCCCC2

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)N2CCCCCC2

InChI

InChI=1S/C14H19N3O3/c1-11-10-12(17(19)20)6-7-13(11)15-14(18)16-8-4-2-3-5-9-16/h6-7,10H,2-5,8-9H2,1H3,(H,15,18)