4-[[(3-chloranyl-4-methoxy-phenyl)methyl-(3-nitrophenyl)carbonyl-amino]carbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[(3-chloranyl-4-methoxy-phenyl)methyl-(3-nitrophenyl)carbonyl-amino]carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[(3-chloro-4-methoxy-phenyl)methyl-(3-nitrobenzoyl)amino]carbamoyl]cyclohexanecarboxylic acid CAS Name: 4-[[2-[(3-chloro-4-methoxyphenyl)methyl]-2-[(3-nitrophenyl)-oxomethyl]hydrazinyl]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[(3-chloro-4-methoxyphenyl)methyl-(3-nitrobenzoyl)amino]carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[(3-chloro-4-methoxy-benzyl)-(3-nitrobenzoyl)amino]carbamoyl]cyclohexanecarboxylic acid Formula: C23H24ClN3O7 MolecularWeight: 489.90556

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN(C(=O)C2=CC(=CC=C2)[N+](=O)[O-])NC(=O)C3CCC(CC3)C(=O)O)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CN(C(=O)C2=CC(=CC=C2)[N+](=O)[O-])NC(=O)C3CCC(CC3)C(=O)O)Cl

InChI

InChI=1S/C23H24ClN3O7/c1-34-20-10-5-14(11-19(20)24)13-26(22(29)17-3-2-4-18(12-17)27(32)33)25-21(28)15-6-8-16(9-7-15)23(30)31/h2-5,10-12,15-16H,6-9,13H2,1H3,(H,25,28)(H,30,31)