4-[[(2,4-dinitrophenyl)amino]methyl]benzoate

Systemtic Name: 4-[[(2,4-dinitrophenyl)amino]methyl]benzoate Openeye Name: 4-[(2,4-dinitroanilino)methyl]benzoate CAS Name: 4-[(2,4-dinitroanilino)methyl]benzoate IUPAC Name: 4-[(2,4-dinitroanilino)methyl]benzoate Traditional Name: 4-[(2,4-dinitroanilino)methyl]benzoate Formula: C14H10N3O6- MolecularWeight: 316.2457

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C14H11N3O6/c18-14(19)10-3-1-9(2-4-10)8-15-12-6-5-11(16(20)21)7-13(12)17(22)23/h1-7,15H,8H2,(H,18,19)/p-1