methyl 4-nitro-3-[(E)-2-pyrrolidin-1-ylethenyl]benzoate

Systemtic Name: methyl 4-nitro-3-[(E)-2-pyrrolidin-1-ylethenyl]benzoate Openeye Name: methyl 4-nitro-3-[(E)-2-pyrrolidin-1-ylvinyl]benzoate CAS Name: 4-nitro-3-[(E)-2-(1-pyrrolidinyl)ethenyl]benzoic acid methyl ester IUPAC Name: methyl 4-nitro-3-[(E)-2-pyrrolidin-1-ylethenyl]benzoate Traditional Name: 4-nitro-3-[(E)-2-pyrrolidinovinyl]benzoic acid methyl ester Formula: C14H16N2O4 MolecularWeight: 276.28784

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])C=CN2CCCC2

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])/C=C/N2CCCC2

InChI

InChI=1S/C14H16N2O4/c1-20-14(17)12-4-5-13(16(18)19)11(10-12)6-9-15-7-2-3-8-15/h4-6,9-10H,2-3,7-8H2,1H3/b9-6+