ethyl 4-[[2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]-3-methyl-pentanoyl]amino]benzoate

Systemtic Name: ethyl 4-[[2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]-3-methyl-pentanoyl]amino]benzoate Openeye Name: ethyl 4-[[2-[(4-chloro-3-nitro-benzoyl)amino]-3-methyl-pentanoyl]amino]benzoate CAS Name: 4-[[2-[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]-3-methyl-1-oxopentyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(4-chloro-3-nitrobenzoyl)amino]-3-methylpentanoyl]amino]benzoate Traditional Name: 4-[[2-[(4-chloro-3-nitro-benzoyl)amino]-3-methyl-pentanoyl]amino]benzoic acid ethyl ester Formula: C22H24ClN3O6 MolecularWeight: 461.89546

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC1=CC=C(C=C1)C(=O)OCC)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCC(C)C(C(=O)NC1=CC=C(C=C1)C(=O)OCC)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H24ClN3O6/c1-4-13(3)19(25-20(27)15-8-11-17(23)18(12-15)26(30)31)21(28)24-16-9-6-14(7-10-16)22(29)32-5-2/h6-13,19H,4-5H2,1-3H3,(H,24,28)(H,25,27)