(2-methoxy-5-nitro-phenyl)methyl (E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoate

Systemtic Name: (2-methoxy-5-nitro-phenyl)methyl (E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoate Openeye Name: (2-methoxy-5-nitro-phenyl)methyl (E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoate CAS Name: (E)-2-cyano-3-(2,5-dimethyl-1-propyl-3-pyrrolyl)-2-propenoic acid (2-methoxy-5-nitrophenyl)methyl ester IUPAC Name: (2-methoxy-5-nitrophenyl)methyl (E)-2-cyano-3-(2,5-dimethyl-1-propylpyrrol-3-yl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)acrylic acid (2-methoxy-5-nitro-benzyl) ester Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C=C(C#N)C(=O)OCC2=C(C=CC(=C2)[N+](=O)[O-])OC)C

Isomeric SMILES

CCCN1C(=CC(=C1C)/C=C(\C#N)/C(=O)OCC2=C(C=CC(=C2)[N+](=O)[O-])OC)C

InChI

InChI=1S/C21H23N3O5/c1-5-8-23-14(2)9-16(15(23)3)10-17(12-22)21(25)29-13-18-11-19(24(26)27)6-7-20(18)28-4/h6-7,9-11H,5,8,13H2,1-4H3/b17-10+