ethyl 3-[[2-[[ethanoyl(ethyl)amino]methyl]phenyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[[2-[[ethanoyl(ethyl)amino]methyl]phenyl]carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[[2-[[acetyl(ethyl)amino]methyl]phenyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[2-[[acetyl(ethyl)amino]methyl]anilino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[[acetyl(ethyl)amino]methyl]phenyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[2-[[acetyl(ethyl)amino]methyl]phenyl]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C21H23N3O6 MolecularWeight: 413.42382

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OCC)C(=O)C

Isomeric SMILES

CCN(CC1=CC=CC=C1NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OCC)C(=O)C

InChI

InChI=1S/C21H23N3O6/c1-4-23(14(3)25)13-15-8-6-7-9-19(15)22-20(26)16-10-17(21(27)30-5-2)12-18(11-16)24(28)29/h6-12H,4-5,13H2,1-3H3,(H,22,26)