ethyl 2-[[(4-aminocarbonyl-2-nitro-phenyl)amino]methyl]-3-(4-methoxyphenyl)propanoate

Systemtic Name: ethyl 2-[[(4-aminocarbonyl-2-nitro-phenyl)amino]methyl]-3-(4-methoxyphenyl)propanoate Openeye Name: ethyl 2-[(4-carbamoyl-2-nitro-anilino)methyl]-3-(4-methoxyphenyl)propanoate CAS Name: 2-[(4-carbamoyl-2-nitroanilino)methyl]-3-(4-methoxyphenyl)propanoic acid ethyl ester IUPAC Name: ethyl 2-[(4-carbamoyl-2-nitroanilino)methyl]-3-(4-methoxyphenyl)propanoate Traditional Name: 2-[(4-carbamoyl-2-nitro-anilino)methyl]-3-(4-methoxyphenyl)propionic acid ethyl ester Formula: C20H23N3O6 MolecularWeight: 401.41312

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=C(C=C1)OC)CNC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C(CC1=CC=C(C=C1)OC)CNC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O6/c1-3-29-20(25)15(10-13-4-7-16(28-2)8-5-13)12-22-17-9-6-14(19(21)24)11-18(17)23(26)27/h4-9,11,15,22H,3,10,12H2,1-2H3,(H2,21,24)