methyl 3-[[(2,4-dinitrophenyl)amino]carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[(2,4-dinitrophenyl)amino]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[(2,4-dinitroanilino)carbamoyl]-5-nitro-benzoate CAS Name: 3-[[(2,4-dinitrophenyl)hydrazo]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[(2,4-dinitroanilino)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[(2,4-dinitroanilino)carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C15H11N5O9 MolecularWeight: 405.27594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H11N5O9/c1-29-15(22)9-4-8(5-11(6-9)19(25)26)14(21)17-16-12-3-2-10(18(23)24)7-13(12)20(27)28/h2-7,16H,1H3,(H,17,21)