methyl 3-nitro-5-[[(4-propan-2-yloxyphenyl)carbonylamino]carbamoyl]benzoate

Systemtic Name: methyl 3-nitro-5-[[(4-propan-2-yloxyphenyl)carbonylamino]carbamoyl]benzoate Openeye Name: methyl 3-[[(4-isopropoxybenzoyl)amino]carbamoyl]-5-nitro-benzoate CAS Name: 3-nitro-5-[oxo-[[oxo-(4-propan-2-yloxyphenyl)methyl]hydrazo]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-5-[[(4-propan-2-yloxybenzoyl)amino]carbamoyl]benzoate Traditional Name: 3-[[(4-isopropoxybenzoyl)amino]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C19H19N3O7 MolecularWeight: 401.37006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(=O)NNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C(=O)NNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C19H19N3O7/c1-11(2)29-16-6-4-12(5-7-16)17(23)20-21-18(24)13-8-14(19(25)28-3)10-15(9-13)22(26)27/h4-11H,1-3H3,(H,20,23)(H,21,24)