ethyl 3-[[4-(4-bromanyl-2-cyano-pyrrol-1-yl)phenyl]methyl-pentanoyl-amino]-4-nitro-benzoate

Systemtic Name: ethyl 3-[[4-(4-bromanyl-2-cyano-pyrrol-1-yl)phenyl]methyl-pentanoyl-amino]-4-nitro-benzoate Openeye Name: ethyl 3-[[4-(4-bromo-2-cyano-pyrrol-1-yl)phenyl]methyl-pentanoyl-amino]-4-nitro-benzoate CAS Name: 3-[[4-(4-bromo-2-cyano-1-pyrrolyl)phenyl]methyl-(1-oxopentyl)amino]-4-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[[4-(4-bromo-2-cyanopyrrol-1-yl)phenyl]methyl-pentanoylamino]-4-nitrobenzoate Traditional Name: 3-[[4-(4-bromo-2-cyano-pyrrol-1-yl)benzyl]-valeryl-amino]-4-nitro-benzoic acid ethyl ester Formula: C26H25BrN4O5 MolecularWeight: 553.4045

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N(CC1=CC=C(C=C1)N2C=C(C=C2C#N)Br)C3=C(C=CC(=C3)C(=O)OCC)[N+](=O)[O-]

Isomeric SMILES

CCCCC(=O)N(CC1=CC=C(C=C1)N2C=C(C=C2C#N)Br)C3=C(C=CC(=C3)C(=O)OCC)[N+](=O)[O-]

InChI

InChI=1S/C26H25BrN4O5/c1-3-5-6-25(32)30(24-13-19(26(33)36-4-2)9-12-23(24)31(34)35)16-18-7-10-21(11-8-18)29-17-20(27)14-22(29)15-28/h7-14,17H,3-6,16H2,1-2H3