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4-(azepan-1-yl)-N-[3-(hydroxymethyl)phenyl]-3-nitro-benzamide

4-(azepan-1-yl)-N-[3-(hydroxymethyl)phenyl]-3-nitro-benzamide

Systemtic Name:4-(azepan-1-yl)-N-[3-(hydroxymethyl)phenyl]-3-nitro-benzamide
Openeye Name:4-(azepan-1-yl)-N-[3-(hydroxymethyl)phenyl]-3-nitro-benzamide
CAS Name:4-(1-azepanyl)-N-[3-(hydroxymethyl)phenyl]-3-nitrobenzamide
IUPAC Name:4-(azepan-1-yl)-N-[3-(hydroxymethyl)phenyl]-3-nitrobenzamide
Traditional Name:4-(azepan-1-yl)-N-(3-methylolphenyl)-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)NC3=CC=CC(=C3)CO)[N+](=O)[O-]


Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC=CC(=C3)CO)[N+](=O)[O-]


InChI

InChI=1S/C20H23N3O4/c24-14-15-6-5-7-17(12-15)21-20(25)16-8-9-18(19(13-16)23(26)27)22-10-3-1-2-4-11-22/h5-9,12-13,24H,1-4,10-11,14H2,(H,21,25)


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