2-(butoxycarbonylamino)-2-(3-nitro-4-oxidanyl-phenyl)ethanoic acid

Systemtic Name: 2-(butoxycarbonylamino)-2-(3-nitro-4-oxidanyl-phenyl)ethanoic acid Openeye Name: 2-(butoxycarbonylamino)-2-(4-hydroxy-3-nitro-phenyl)acetic acid CAS Name: 2-[[butoxy(oxo)methyl]amino]-2-(4-hydroxy-3-nitrophenyl)acetic acid IUPAC Name: 2-(butoxycarbonylamino)-2-(4-hydroxy-3-nitrophenyl)acetic acid Traditional Name: 2-(butoxycarbonylamino)-2-(4-hydroxy-3-nitro-phenyl)acetic acid Formula: C13H16N2O7 MolecularWeight: 312.27534

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)NC(C1=CC(=C(C=C1)O)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCCCOC(=O)NC(C1=CC(=C(C=C1)O)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C13H16N2O7/c1-2-3-6-22-13(19)14-11(12(17)18)8-4-5-10(16)9(7-8)15(20)21/h4-5,7,11,16H,2-3,6H2,1H3,(H,14,19)(H,17,18)