methyl 3-[[(5-chloranyl-2-methoxy-phenyl)carbonylamino]carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[(5-chloranyl-2-methoxy-phenyl)carbonylamino]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[(5-chloro-2-methoxy-benzoyl)amino]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[(5-chloro-2-methoxyphenyl)-oxomethyl]hydrazo]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[(5-chloro-2-methoxybenzoyl)amino]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[(5-chloro-2-methoxy-benzoyl)amino]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C17H14ClN3O7 MolecularWeight: 407.76196

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C(=O)NNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C(=O)NNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C17H14ClN3O7/c1-27-14-4-3-11(18)8-13(14)16(23)20-19-15(22)9-5-10(17(24)28-2)7-12(6-9)21(25)26/h3-8H,1-2H3,(H,19,22)(H,20,23)