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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-])OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-])OC)OC

InChI

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