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

Systemtic Name: methyl 3-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[2-[[cyclohexyl(methyl)amino]methyl]anilino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C23H27N3O5 MolecularWeight: 425.47758

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC)C3CCCCC3

Isomeric SMILES

CN(CC1=CC=CC=C1NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC)C3CCCCC3

InChI

InChI=1S/C23H27N3O5/c1-25(19-9-4-3-5-10-19)15-16-8-6-7-11-21(16)24-22(27)17-12-18(23(28)31-2)14-20(13-17)26(29)30/h6-8,11-14,19H,3-5,9-10,15H2,1-2H3,(H,24,27)