methyl 2-[2-[[4-(2-cyano-5-methyl-pyrrol-1-yl)phenyl]methyl]pentanoylamino]-3-nitro-benzoate

Systemtic Name: methyl 2-[2-[[4-(2-cyano-5-methyl-pyrrol-1-yl)phenyl]methyl]pentanoylamino]-3-nitro-benzoate Openeye Name: methyl 2-[2-[[4-(2-cyano-5-methyl-pyrrol-1-yl)phenyl]methyl]pentanoylamino]-3-nitro-benzoate CAS Name: 2-[[2-[[4-(2-cyano-5-methyl-1-pyrrolyl)phenyl]methyl]-1-oxopentyl]amino]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[2-[[4-(2-cyano-5-methylpyrrol-1-yl)phenyl]methyl]pentanoylamino]-3-nitrobenzoate Traditional Name: 2-[2-[4-(2-cyano-5-methyl-pyrrol-1-yl)benzyl]pentanoylamino]-3-nitro-benzoic acid methyl ester Formula: C26H26N4O5 MolecularWeight: 474.50844

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C26H26N4O5/c1-4-6-19(15-18-10-13-20(14-11-18)29-17(2)9-12-21(29)16-27)25(31)28-24-22(26(32)35-3)7-5-8-23(24)30(33)34/h5,7-14,19H,4,6,15H2,1-3H3,(H,28,31)