(4-methoxyphenyl)methyl 2-[[4-(2-dimethylaminoethylcarbamoyl)-2,6-dinitro-phenyl]amino]propanoate

Systemtic Name: (4-methoxyphenyl)methyl 2-[[4-(2-dimethylaminoethylcarbamoyl)-2,6-dinitro-phenyl]amino]propanoate Openeye Name: (4-methoxyphenyl)methyl 2-[4-(2-dimethylaminoethylcarbamoyl)-2,6-dinitro-anilino]propanoate CAS Name: 2-[4-[(2-dimethylaminoethylamino)-oxomethyl]-2,6-dinitroanilino]propanoic acid (4-methoxyphenyl)methyl ester IUPAC Name: (4-methoxyphenyl)methyl 2-[4-(2-dimethylaminoethylcarbamoyl)-2,6-dinitroanilino]propanoate Traditional Name: 2-[4-(2-dimethylaminoethylcarbamoyl)-2,6-dinitro-anilino]propionic acid p-anisyl ester Formula: C22H27N5O8 MolecularWeight: 489.47848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=CC=C(C=C1)OC)NC2=C(C=C(C=C2[N+](=O)[O-])C(=O)NCCN(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)OCC1=CC=C(C=C1)OC)NC2=C(C=C(C=C2[N+](=O)[O-])C(=O)NCCN(C)C)[N+](=O)[O-]

InChI

InChI=1S/C22H27N5O8/c1-14(22(29)35-13-15-5-7-17(34-4)8-6-15)24-20-18(26(30)31)11-16(12-19(20)27(32)33)21(28)23-9-10-25(2)3/h5-8,11-12,14,24H,9-10,13H2,1-4H3,(H,23,28)