N-(3-chlorophenyl)-2-nitro-benzamide hydrate

Systemtic Name: N-(3-chlorophenyl)-2-nitro-benzamide hydrate Openeye Name: N-(3-chlorophenyl)-2-nitro-benzamide hydrate CAS Name: N-(3-chlorophenyl)-2-nitrobenzamide hydrate IUPAC Name: N-(3-chlorophenyl)-2-nitrobenzamide hydrate Traditional Name: N-(3-chlorophenyl)-2-nitro-benzamide hydrate Formula: C13H11ClN2O4 MolecularWeight: 294.69044

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=CC(=CC=C2)Cl)[N+](=O)[O-].O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=CC(=CC=C2)Cl)[N+](=O)[O-].O

InChI

InChI=1S/C13H9ClN2O3.H2O/c14-9-4-3-5-10(8-9)15-13(17)11-6-1-2-7-12(11)16(18)19;/h1-8H,(H,15,17);1H2