N-[4-(azepan-1-yl)phenyl]-2-(4-methanoyl-2-nitro-phenoxy)ethanamide

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-2-(4-methanoyl-2-nitro-phenoxy)ethanamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-2-(4-formyl-2-nitro-phenoxy)acetamide CAS Name: N-[4-(1-azepanyl)phenyl]-2-(4-formyl-2-nitrophenoxy)acetamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-2-(4-formyl-2-nitrophenoxy)acetamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-2-(4-formyl-2-nitro-phenoxy)acetamide Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)COC3=C(C=C(C=C3)C=O)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)COC3=C(C=C(C=C3)C=O)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O5/c25-14-16-5-10-20(19(13-16)24(27)28)29-15-21(26)22-17-6-8-18(9-7-17)23-11-3-1-2-4-12-23/h5-10,13-14H,1-4,11-12,15H2,(H,22,26)