2-[(4-methoxycarbonyl-2,6-dinitro-phenyl)amino]ethanoic acid

Systemtic Name: 2-[(4-methoxycarbonyl-2,6-dinitro-phenyl)amino]ethanoic acid Openeye Name: 2-(4-methoxycarbonyl-2,6-dinitro-anilino)acetic acid CAS Name: 2-(4-methoxycarbonyl-2,6-dinitroanilino)acetic acid IUPAC Name: 2-(4-methoxycarbonyl-2,6-dinitroanilino)acetic acid Traditional Name: 2-(4-carbomethoxy-2,6-dinitro-anilino)acetic acid Formula: C10H9N3O8 MolecularWeight: 299.19376

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])NCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])NCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C10H9N3O8/c1-21-10(16)5-2-6(12(17)18)9(11-4-8(14)15)7(3-5)13(19)20/h2-3,11H,4H2,1H3,(H,14,15)