4-(azepan-1-yl)-3-nitro-N-phenylmethoxy-benzamide

Systemtic Name: 4-(azepan-1-yl)-3-nitro-N-phenylmethoxy-benzamide Openeye Name: 4-(azepan-1-yl)-N-benzyloxy-3-nitro-benzamide CAS Name: 4-(1-azepanyl)-3-nitro-N-phenylmethoxybenzamide IUPAC Name: 4-(azepan-1-yl)-3-nitro-N-phenylmethoxybenzamide Traditional Name: 4-(azepan-1-yl)-N-benzoxy-3-nitro-benzamide Formula: C20H23N3O4 MolecularWeight: 369.41432

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NOCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NOCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O4/c24-20(21-27-15-16-8-4-3-5-9-16)17-10-11-18(19(14-17)23(25)26)22-12-6-1-2-7-13-22/h3-5,8-11,14H,1-2,6-7,12-13,15H2,(H,21,24)