azanyl 2-[2-[[4-(2-cyano-1-benzofuran-3-yl)phenyl]methyl]pentanoyl]-3-nitro-benzoate

Systemtic Name: azanyl 2-[2-[[4-(2-cyano-1-benzofuran-3-yl)phenyl]methyl]pentanoyl]-3-nitro-benzoate Openeye Name: amino 2-[2-[[4-(2-cyanobenzofuran-3-yl)phenyl]methyl]pentanoyl]-3-nitro-benzoate CAS Name: 2-[2-[[4-(2-cyano-3-benzofuranyl)phenyl]methyl]-1-oxopentyl]-3-nitrobenzoic acid amino ester IUPAC Name: amino 2-[2-[[4-(2-cyano-1-benzofuran-3-yl)phenyl]methyl]pentanoyl]-3-nitrobenzoate Traditional Name: 2-[2-[4-(2-cyanobenzofuran-3-yl)benzyl]pentanoyl]-3-nitro-benzoic acid amino ester Formula: C28H23N3O6 MolecularWeight: 497.49872

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC1=CC=C(C=C1)C2=C(OC3=CC=CC=C32)C#N)C(=O)C4=C(C=CC=C4[N+](=O)[O-])C(=O)ON

Isomeric SMILES

CCCC(CC1=CC=C(C=C1)C2=C(OC3=CC=CC=C32)C#N)C(=O)C4=C(C=CC=C4[N+](=O)[O-])C(=O)ON

InChI

InChI=1S/C28H23N3O6/c1-2-6-19(27(32)26-21(28(33)37-30)8-5-9-22(26)31(34)35)15-17-11-13-18(14-12-17)25-20-7-3-4-10-23(20)36-24(25)16-29/h3-5,7-14,19H,2,6,15,30H2,1H3