ethyl 2-[(3-chloranyl-2-methoxy-phenyl)methyl]-3-(3,4-dimethoxyphenyl)-4-nitro-butanoate

Systemtic Name: ethyl 2-[(3-chloranyl-2-methoxy-phenyl)methyl]-3-(3,4-dimethoxyphenyl)-4-nitro-butanoate Openeye Name: ethyl 2-[(3-chloro-2-methoxy-phenyl)methyl]-3-(3,4-dimethoxyphenyl)-4-nitro-butanoate CAS Name: 2-[(3-chloro-2-methoxyphenyl)methyl]-3-(3,4-dimethoxyphenyl)-4-nitrobutanoic acid ethyl ester IUPAC Name: ethyl 2-[(3-chloro-2-methoxyphenyl)methyl]-3-(3,4-dimethoxyphenyl)-4-nitrobutanoate Traditional Name: 2-(3-chloro-2-methoxy-benzyl)-3-(3,4-dimethoxyphenyl)-4-nitro-butyric acid ethyl ester Formula: C22H26ClNO7 MolecularWeight: 451.89734

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=C(C(=CC=C1)Cl)OC)C(C[N+](=O)[O-])C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCOC(=O)C(CC1=C(C(=CC=C1)Cl)OC)C(C[N+](=O)[O-])C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C22H26ClNO7/c1-5-31-22(25)16(11-15-7-6-8-18(23)21(15)30-4)17(13-24(26)27)14-9-10-19(28-2)20(12-14)29-3/h6-10,12,16-17H,5,11,13H2,1-4H3