(4-aminocarbonyl-2-nitro-phenyl)methyl 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethanoate

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethanoate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate CAS Name: 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetic acid (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate Traditional Name: 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetic acid (4-carbamoyl-2-nitro-benzyl) ester Formula: C20H20N2O7 MolecularWeight: 400.382

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC1=CC(=C(C=C1)OCC(=O)OCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])OC

Isomeric SMILES

C/C=C/C1=CC(=C(C=C1)OCC(=O)OCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])OC

InChI

InChI=1S/C20H20N2O7/c1-3-4-13-5-8-17(18(9-13)27-2)28-12-19(23)29-11-15-7-6-14(20(21)24)10-16(15)22(25)26/h3-10H,11-12H2,1-2H3,(H2,21,24)/b4-3+