2,2-dimethylpropyl (Z)-2-cyano-3-[3-nitro-4,5-bis(oxidanyl)phenyl]prop-2-enoate

Systemtic Name: 2,2-dimethylpropyl (Z)-2-cyano-3-[3-nitro-4,5-bis(oxidanyl)phenyl]prop-2-enoate Openeye Name: 2,2-dimethylpropyl (Z)-2-cyano-3-(3,4-dihydroxy-5-nitro-phenyl)prop-2-enoate CAS Name: (Z)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-2-propenoic acid 2,2-dimethylpropyl ester IUPAC Name: 2,2-dimethylpropyl (Z)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)prop-2-enoate Traditional Name: (Z)-2-cyano-3-(3,4-dihydroxy-5-nitro-phenyl)acrylic acid neopentyl ester Formula: C15H16N2O6 MolecularWeight: 320.29734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)COC(=O)C(=CC1=CC(=C(C(=C1)O)O)[N+](=O)[O-])C#N

Isomeric SMILES

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

InChI

InChI=1S/C15H16N2O6/c1-15(2,3)8-23-14(20)10(7-16)4-9-5-11(17(21)22)13(19)12(18)6-9/h4-6,18-19H,8H2,1-3H3/b10-4-