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

Systemtic Name: N-[3-[[3-azanylpropyl-(4-methoxyphenyl)carbonyl-amino]methyl]-4-chloranyl-phenyl]-4-nitro-benzamide Openeye Name: N-[3-[[3-aminopropyl-(4-methoxybenzoyl)amino]methyl]-4-chloro-phenyl]-4-nitro-benzamide CAS Name: N-[3-[[3-aminopropyl-[(4-methoxyphenyl)-oxomethyl]amino]methyl]-4-chlorophenyl]-4-nitrobenzamide IUPAC Name: N-[3-[[3-aminopropyl-(4-methoxybenzoyl)amino]methyl]-4-chlorophenyl]-4-nitrobenzamide Traditional Name: N-[3-[[3-aminopropyl(p-anisoyl)amino]methyl]-4-chloro-phenyl]-4-nitro-benzamide Formula: C25H25ClN4O5 MolecularWeight: 496.9428

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)N(CCCN)CC2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N(CCCN)CC2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C25H25ClN4O5/c1-35-22-10-5-18(6-11-22)25(32)29(14-2-13-27)16-19-15-20(7-12-23(19)26)28-24(31)17-3-8-21(9-4-17)30(33)34/h3-12,15H,2,13-14,16,27H2,1H3,(H,28,31)