methyl 2-[(3-nitro-4-propan-2-yl-phenyl)-oxidanyl-methyl]prop-2-enoate

Systemtic Name: methyl 2-[(3-nitro-4-propan-2-yl-phenyl)-oxidanyl-methyl]prop-2-enoate Openeye Name: methyl 2-[hydroxy-(4-isopropyl-3-nitro-phenyl)methyl]prop-2-enoate CAS Name: 2-[hydroxy-(3-nitro-4-propan-2-ylphenyl)methyl]-2-propenoic acid methyl ester IUPAC Name: methyl 2-[hydroxy-(3-nitro-4-propan-2-ylphenyl)methyl]prop-2-enoate Traditional Name: 2-[hydroxy-(4-isopropyl-3-nitro-phenyl)methyl]acrylic acid methyl ester Formula: C14H17NO5 MolecularWeight: 279.28848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO5/c1-8(2)11-6-5-10(7-12(11)15(18)19)13(16)9(3)14(17)20-4/h5-8,13,16H,3H2,1-2,4H3