ethyl 3-[3-[methyl(phenyl)amino]propylcarbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[3-[methyl(phenyl)amino]propylcarbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[3-(N-methylanilino)propylcarbamoyl]-5-nitro-benzoate CAS Name: 3-[[3-(N-methylanilino)propylamino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[3-(N-methylanilino)propylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[3-(N-methylanilino)propylcarbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C20H23N3O5 MolecularWeight: 385.41372

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCCCN(C)C2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCCCN(C)C2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O5/c1-3-28-20(25)16-12-15(13-18(14-16)23(26)27)19(24)21-10-7-11-22(2)17-8-5-4-6-9-17/h4-6,8-9,12-14H,3,7,10-11H2,1-2H3,(H,21,24)