(4-pyrrolidin-1-ylcarbonylphenyl)methyl (E)-3-(3-nitrophenyl)prop-2-enoate

Systemtic Name: (4-pyrrolidin-1-ylcarbonylphenyl)methyl (E)-3-(3-nitrophenyl)prop-2-enoate Openeye Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl (E)-3-(3-nitrophenyl)prop-2-enoate CAS Name: (E)-3-(3-nitrophenyl)-2-propenoic acid [4-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl ester IUPAC Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl (E)-3-(3-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(3-nitrophenyl)acrylic acid [4-(pyrrolidine-1-carbonyl)benzyl] ester Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC=C(C=C2)COC(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC=C(C=C2)COC(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H20N2O5/c24-20(11-8-16-4-3-5-19(14-16)23(26)27)28-15-17-6-9-18(10-7-17)21(25)22-12-1-2-13-22/h3-11,14H,1-2,12-13,15H2/b11-8+