methyl 3-[(2,4-dinitrophenyl)amino]benzoate

Systemtic Name: methyl 3-[(2,4-dinitrophenyl)amino]benzoate Openeye Name: methyl 3-(2,4-dinitroanilino)benzoate CAS Name: 3-(2,4-dinitroanilino)benzoic acid methyl ester IUPAC Name: methyl 3-(2,4-dinitroanilino)benzoate Traditional Name: 3-(2,4-dinitroanilino)benzoic acid methyl ester Formula: C14H11N3O6 MolecularWeight: 317.25364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11N3O6/c1-23-14(18)9-3-2-4-10(7-9)15-12-6-5-11(16(19)20)8-13(12)17(21)22/h2-8,15H,1H3