2-[[2-[(3,4-dimethoxyphenyl)methylcarbamoyl]-4-nitro-phenyl]amino]propyl ethanoate

Systemtic Name: 2-[[2-[(3,4-dimethoxyphenyl)methylcarbamoyl]-4-nitro-phenyl]amino]propyl ethanoate Openeye Name: 2-[2-[(3,4-dimethoxyphenyl)methylcarbamoyl]-4-nitro-anilino]propyl acetate CAS Name: acetic acid 2-[2-[[(3,4-dimethoxyphenyl)methylamino]-oxomethyl]-4-nitroanilino]propyl ester IUPAC Name: 2-[2-[(3,4-dimethoxyphenyl)methylcarbamoyl]-4-nitroanilino]propyl acetate Traditional Name: acetic acid 2-[4-nitro-2-(veratrylcarbamoyl)anilino]propyl ester Formula: C21H25N3O7 MolecularWeight: 431.4391

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(COC(=O)C)NC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC(COC(=O)C)NC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C21H25N3O7/c1-13(12-31-14(2)25)23-18-7-6-16(24(27)28)10-17(18)21(26)22-11-15-5-8-19(29-3)20(9-15)30-4/h5-10,13,23H,11-12H2,1-4H3,(H,22,26)