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

Systemtic Name: methyl 3-[(3-methoxycarbonyl-5-nitro-phenyl)carbamoylamino]-5-nitro-benzoate Openeye Name: methyl 3-[(3-methoxycarbonyl-5-nitro-phenyl)carbamoylamino]-5-nitro-benzoate CAS Name: 3-[[(3-methoxycarbonyl-5-nitroanilino)-oxomethyl]amino]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[(3-methoxycarbonyl-5-nitrophenyl)carbamoylamino]-5-nitrobenzoate Traditional Name: 3-[(3-carbomethoxy-5-nitro-phenyl)carbamoylamino]-5-nitro-benzoic acid methyl ester Formula: C17H14N4O9 MolecularWeight: 418.31446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N4O9/c1-29-15(22)9-3-11(7-13(5-9)20(25)26)18-17(24)19-12-4-10(16(23)30-2)6-14(8-12)21(27)28/h3-8H,1-2H3,(H2,18,19,24)