N-[3-[[3-azanylpropyl(cyclopropylcarbonyl)amino]methyl]-4-chloranyl-phenyl]-4-nitro-benzamide

Systemtic Name: N-[3-[[3-azanylpropyl(cyclopropylcarbonyl)amino]methyl]-4-chloranyl-phenyl]-4-nitro-benzamide Openeye Name: N-[3-[[3-aminopropyl(cyclopropanecarbonyl)amino]methyl]-4-chloro-phenyl]-4-nitro-benzamide CAS Name: N-[3-[[3-aminopropyl-[cyclopropyl(oxo)methyl]amino]methyl]-4-chlorophenyl]-4-nitrobenzamide IUPAC Name: N-[3-[[3-aminopropyl(cyclopropanecarbonyl)amino]methyl]-4-chlorophenyl]-4-nitrobenzamide Traditional Name: N-[3-[[3-aminopropyl(cyclopropanecarbonyl)amino]methyl]-4-chloro-phenyl]-4-nitro-benzamide Formula: C21H23ClN4O4 MolecularWeight: 430.88472

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N(CCCN)CC2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1CC1C(=O)N(CCCN)CC2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H23ClN4O4/c22-19-9-6-17(24-20(27)14-4-7-18(8-5-14)26(29)30)12-16(19)13-25(11-1-10-23)21(28)15-2-3-15/h4-9,12,15H,1-3,10-11,13,23H2,(H,24,27)