5-nitro-2-[(phenylmethyl)amino]benzoate

Systemtic Name: 5-nitro-2-[(phenylmethyl)amino]benzoate Openeye Name: 2-(benzylamino)-5-nitro-benzoate CAS Name: 5-nitro-2-[(phenylmethyl)amino]benzoate IUPAC Name: 2-(benzylamino)-5-nitrobenzoate Traditional Name: 2-(benzylamino)-5-nitro-benzoate Formula: C14H11N2O4- MolecularWeight: 271.24814

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C14H12N2O4/c17-14(18)12-8-11(16(19)20)6-7-13(12)15-9-10-4-2-1-3-5-10/h1-8,15H,9H2,(H,17,18)/p-1