(2E)-2-[[4-[(2-methylpropan-2-yl)oxycarbonyl]-2-nitro-phenyl]methylidene]butanedioic acid

Systemtic Name: (2E)-2-[[4-[(2-methylpropan-2-yl)oxycarbonyl]-2-nitro-phenyl]methylidene]butanedioic acid Openeye Name: (2E)-2-[(4-tert-butoxycarbonyl-2-nitro-phenyl)methylene]butanedioic acid CAS Name: (2E)-2-[[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-nitrophenyl]methylidene]butanedioic acid IUPAC Name: (2E)-2-[[4-[(2-methylpropan-2-yl)oxycarbonyl]-2-nitrophenyl]methylidene]butanedioic acid Traditional Name: (2E)-2-(4-tert-butoxycarbonyl-2-nitro-benzylidene)succinic acid Formula: C16H17NO8 MolecularWeight: 351.30808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC(=C(C=C1)/C=C(\CC(=O)O)/C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C16H17NO8/c1-16(2,3)25-15(22)10-5-4-9(12(7-10)17(23)24)6-11(14(20)21)8-13(18)19/h4-7H,8H2,1-3H3,(H,18,19)(H,20,21)/b11-6+