methyl 2-[4-[(E)-but-2-enoxy]-3-nitro-phenyl]pentanoate

Systemtic Name: methyl 2-[4-[(E)-but-2-enoxy]-3-nitro-phenyl]pentanoate Openeye Name: methyl 2-[4-[(E)-but-2-enoxy]-3-nitro-phenyl]pentanoate CAS Name: 2-[4-[(E)-but-2-enoxy]-3-nitrophenyl]pentanoic acid methyl ester IUPAC Name: methyl 2-[4-[(E)-but-2-enoxy]-3-nitrophenyl]pentanoate Traditional Name: 2-[4-[(E)-but-2-enoxy]-3-nitro-phenyl]valeric acid methyl ester Formula: C16H21NO5 MolecularWeight: 307.34164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO5/c1-4-6-10-22-15-9-8-12(11-14(15)17(19)20)13(7-5-2)16(18)21-3/h4,6,8-9,11,13H,5,7,10H2,1-3H3/b6-4+