2-nitro-N-(phenylmethyl)benzamide hydrate

Systemtic Name: 2-nitro-N-(phenylmethyl)benzamide hydrate Openeye Name: N-benzyl-2-nitro-benzamide hydrate CAS Name: 2-nitro-N-(phenylmethyl)benzamide hydrate IUPAC Name: N-benzyl-2-nitrobenzamide hydrate Traditional Name: N-benzyl-2-nitro-benzamide hydrate Formula: C14H14N2O4 MolecularWeight: 274.27196

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C2=CC=CC=C2[N+](=O)[O-].O

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C2=CC=CC=C2[N+](=O)[O-].O

InChI

InChI=1S/C14H12N2O3.H2O/c17-14(15-10-11-6-2-1-3-7-11)12-8-4-5-9-13(12)16(18)19;/h1-9H,10H2,(H,15,17);1H2