[(3-cyano-4-phenyl-phenyl)methyl-pentanoyl-amino] 5-chloranyl-2-methyl-3-nitro-benzoate

Systemtic Name: [(3-cyano-4-phenyl-phenyl)methyl-pentanoyl-amino] 5-chloranyl-2-methyl-3-nitro-benzoate Openeye Name: [(3-cyano-4-phenyl-phenyl)methyl-pentanoyl-amino] 5-chloro-2-methyl-3-nitro-benzoate CAS Name: 5-chloro-2-methyl-3-nitrobenzoic acid [(3-cyano-4-phenylphenyl)methyl-(1-oxopentyl)amino] ester IUPAC Name: [(3-cyano-4-phenylphenyl)methyl-pentanoylamino] 5-chloro-2-methyl-3-nitrobenzoate Traditional Name: 5-chloro-2-methyl-3-nitro-benzoic acid [(3-cyano-4-phenyl-benzyl)-valeryl-amino] ester Formula: C27H24ClN3O5 MolecularWeight: 505.94956

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N(CC1=CC(=C(C=C1)C2=CC=CC=C2)C#N)OC(=O)C3=CC(=CC(=C3C)[N+](=O)[O-])Cl

Isomeric SMILES

CCCCC(=O)N(CC1=CC(=C(C=C1)C2=CC=CC=C2)C#N)OC(=O)C3=CC(=CC(=C3C)[N+](=O)[O-])Cl

InChI

InChI=1S/C27H24ClN3O5/c1-3-4-10-26(32)30(36-27(33)24-14-22(28)15-25(18(24)2)31(34)35)17-19-11-12-23(21(13-19)16-29)20-8-6-5-7-9-20/h5-9,11-15H,3-4,10,17H2,1-2H3