methyl 3-nitro-5-phenylmethoxy-4-[(E)-2-pyrrolidin-1-ylethenyl]benzoate

Systemtic Name: methyl 3-nitro-5-phenylmethoxy-4-[(E)-2-pyrrolidin-1-ylethenyl]benzoate Openeye Name: methyl 3-benzyloxy-5-nitro-4-[(E)-2-pyrrolidin-1-ylvinyl]benzoate CAS Name: 3-nitro-5-phenylmethoxy-4-[(E)-2-(1-pyrrolidinyl)ethenyl]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-5-phenylmethoxy-4-[(E)-2-pyrrolidin-1-ylethenyl]benzoate Traditional Name: 3-benzoxy-5-nitro-4-[(E)-2-pyrrolidinovinyl]benzoic acid methyl ester Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C(=C1)OCC2=CC=CC=C2)C=CN3CCCC3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C(=C1)OCC2=CC=CC=C2)/C=C/N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O5/c1-27-21(24)17-13-19(23(25)26)18(9-12-22-10-5-6-11-22)20(14-17)28-15-16-7-3-2-4-8-16/h2-4,7-9,12-14H,5-6,10-11,15H2,1H3/b12-9+