4-nitro-2-[[(3,4,5-trimethoxyphenyl)carbonylamino]methyl]phenolate

Systemtic Name: 4-nitro-2-[[(3,4,5-trimethoxyphenyl)carbonylamino]methyl]phenolate Openeye Name: 4-nitro-2-[[(3,4,5-trimethoxybenzoyl)amino]methyl]phenolate CAS Name: 4-nitro-2-[[[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]methyl]phenolate IUPAC Name: 4-nitro-2-[[(3,4,5-trimethoxybenzoyl)amino]methyl]phenolate Traditional Name: 4-nitro-2-[[(3,4,5-trimethoxybenzoyl)amino]methyl]phenolate Formula: C17H17N2O7- MolecularWeight: 361.32608

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C17H18N2O7/c1-24-14-7-10(8-15(25-2)16(14)26-3)17(21)18-9-11-6-12(19(22)23)4-5-13(11)20/h4-8,20H,9H2,1-3H3,(H,18,21)/p-1