methyl 2-[2-[[4-(2-cyanopyrrol-1-yl)phenyl]methyl]pentanoylamino]-3-nitro-benzoate

Systemtic Name: methyl 2-[2-[[4-(2-cyanopyrrol-1-yl)phenyl]methyl]pentanoylamino]-3-nitro-benzoate Openeye Name: methyl 2-[2-[[4-(2-cyanopyrrol-1-yl)phenyl]methyl]pentanoylamino]-3-nitro-benzoate CAS Name: 2-[[2-[[4-(2-cyano-1-pyrrolyl)phenyl]methyl]-1-oxopentyl]amino]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[2-[[4-(2-cyanopyrrol-1-yl)phenyl]methyl]pentanoylamino]-3-nitrobenzoate Traditional Name: 2-[2-[4-(2-cyanopyrrol-1-yl)benzyl]pentanoylamino]-3-nitro-benzoic acid methyl ester Formula: C25H24N4O5 MolecularWeight: 460.48186

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC1=CC=C(C=C1)N2C=CC=C2C#N)C(=O)NC3=C(C=CC=C3[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CCCC(CC1=CC=C(C=C1)N2C=CC=C2C#N)C(=O)NC3=C(C=CC=C3[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C25H24N4O5/c1-3-6-18(15-17-10-12-19(13-11-17)28-14-5-7-20(28)16-26)24(30)27-23-21(25(31)34-2)8-4-9-22(23)29(32)33/h4-5,7-14,18H,3,6,15H2,1-2H3,(H,27,30)