5-nitro-2-[(phenylmethyl)amino]cyclohepta-2,4,6-trien-1-one

Systemtic Name: 5-nitro-2-[(phenylmethyl)amino]cyclohepta-2,4,6-trien-1-one Openeye Name: 2-(benzylamino)-5-nitro-cyclohepta-2,4,6-trien-1-one CAS Name: 5-nitro-2-[(phenylmethyl)amino]-1-cyclohepta-2,4,6-trienone IUPAC Name: 2-(benzylamino)-5-nitrocyclohepta-2,4,6-trien-1-one Traditional Name: 2-(benzylamino)-5-nitro-cyclohepta-2,4,6-trien-1-one Formula: C14H12N2O3 MolecularWeight: 256.25668

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=CC=C(C=CC2=O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC2=CC=C(C=CC2=O)[N+](=O)[O-]

InChI

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