(3,3-dimethyl-2-oxidanylidene-butyl) (E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) (E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) (E)-3-(4-chloro-3-nitro-phenyl)prop-2-enoate CAS Name: (E)-3-(4-chloro-3-nitrophenyl)-2-propenoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) (E)-3-(4-chloro-3-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(4-chloro-3-nitro-phenyl)acrylic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C15H16ClNO5 MolecularWeight: 325.74424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16ClNO5/c1-15(2,3)13(18)9-22-14(19)7-5-10-4-6-11(16)12(8-10)17(20)21/h4-8H,9H2,1-3H3/b7-5+