methyl 3-[[(3-methoxycarbonyl-5-nitro-phenyl)carbonylamino]carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[(3-methoxycarbonyl-5-nitro-phenyl)carbonylamino]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[(3-methoxycarbonyl-5-nitro-benzoyl)amino]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[(3-methoxycarbonyl-5-nitrophenyl)-oxomethyl]hydrazo]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[(3-methoxycarbonyl-5-nitrobenzoyl)amino]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[(3-carbomethoxy-5-nitro-benzoyl)amino]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C18H14N4O10 MolecularWeight: 446.32456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14N4O10/c1-31-17(25)11-3-9(5-13(7-11)21(27)28)15(23)19-20-16(24)10-4-12(18(26)32-2)8-14(6-10)22(29)30/h3-8H,1-2H3,(H,19,23)(H,20,24)