methyl 5-chloranyl-2-[2-[[4-(2-cyanophenyl)phenyl]methyl]pentanoylamino]-3-nitro-benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC1=CC=C(C=C1)C2=CC=CC=C2C#N)C(=O)NC3=C(C=C(C=C3C(=O)OC)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCC(CC1=CC=C(C=C1)C2=CC=CC=C2C#N)C(=O)NC3=C(C=C(C=C3C(=O)OC)Cl)[N+](=O)[O-]

InChI

InChI=1S/C27H24ClN3O5/c1-3-6-19(13-17-9-11-18(12-10-17)22-8-5-4-7-20(22)16-29)26(32)30-25-23(27(33)36-2)14-21(28)15-24(25)31(34)35/h4-5,7-12,14-15,19H,3,6,13H2,1-2H3,(H,30,32)