methyl 2-[2-[(3-cyano-4-phenyl-phenyl)methyl]pentanoylamino]-3-nitro-benzoate

Systemtic Name: methyl 2-[2-[(3-cyano-4-phenyl-phenyl)methyl]pentanoylamino]-3-nitro-benzoate Openeye Name: methyl 2-[2-[(3-cyano-4-phenyl-phenyl)methyl]pentanoylamino]-3-nitro-benzoate CAS Name: 2-[[2-[(3-cyano-4-phenylphenyl)methyl]-1-oxopentyl]amino]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[2-[(3-cyano-4-phenylphenyl)methyl]pentanoylamino]-3-nitrobenzoate Traditional Name: 2-[2-(3-cyano-4-phenyl-benzyl)pentanoylamino]-3-nitro-benzoic acid methyl ester Formula: C27H25N3O5 MolecularWeight: 471.5045

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC1=CC(=C(C=C1)C2=CC=CC=C2)C#N)C(=O)NC3=C(C=CC=C3[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CCCC(CC1=CC(=C(C=C1)C2=CC=CC=C2)C#N)C(=O)NC3=C(C=CC=C3[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C27H25N3O5/c1-3-8-20(15-18-13-14-22(21(16-18)17-28)19-9-5-4-6-10-19)26(31)29-25-23(27(32)35-2)11-7-12-24(25)30(33)34/h4-7,9-14,16,20H,3,8,15H2,1-2H3,(H,29,31)