4-[[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]methyl]-3-nitro-benzamide

Systemtic Name: 4-[[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]methyl]-3-nitro-benzamide Openeye Name: 4-[[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]methyl]-3-nitro-benzamide CAS Name: 4-[[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]methyl]-3-nitrobenzamide IUPAC Name: 4-[[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]methyl]-3-nitrobenzamide Traditional Name: 4-[[cyclopropyl-(2,5-dimethoxybenzyl)amino]methyl]-3-nitro-benzamide Formula: C20H23N3O5 MolecularWeight: 385.41372

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CN(CC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])C3CC3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CN(CC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])C3CC3

InChI

InChI=1S/C20H23N3O5/c1-27-17-7-8-19(28-2)15(9-17)12-22(16-5-6-16)11-14-4-3-13(20(21)24)10-18(14)23(25)26/h3-4,7-10,16H,5-6,11-12H2,1-2H3,(H2,21,24)