2-[[(3,4-dimethoxyphenyl)carbonylamino]carbamoyl]-6-nitro-benzoic acid

Systemtic Name: 2-[[(3,4-dimethoxyphenyl)carbonylamino]carbamoyl]-6-nitro-benzoic acid Openeye Name: 2-[[(3,4-dimethoxybenzoyl)amino]carbamoyl]-6-nitro-benzoic acid CAS Name: 2-[[[(3,4-dimethoxyphenyl)-oxomethyl]hydrazo]-oxomethyl]-6-nitrobenzoic acid IUPAC Name: 2-[[(3,4-dimethoxybenzoyl)amino]carbamoyl]-6-nitrobenzoic acid Traditional Name: 2-nitro-6-[(veratroylamino)carbamoyl]benzoic acid Formula: C17H15N3O8 MolecularWeight: 389.3163

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O8/c1-27-12-7-6-9(8-13(12)28-2)15(21)18-19-16(22)10-4-3-5-11(20(25)26)14(10)17(23)24/h3-8H,1-2H3,(H,18,21)(H,19,22)(H,23,24)