[2-[(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-oxidanylidene-ethyl] 2-chloranyl-4-nitro-benzoate

Systemtic Name: [2-[(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-oxidanylidene-ethyl] 2-chloranyl-4-nitro-benzoate Openeye Name: [2-[(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-oxo-ethyl] 2-chloro-4-nitro-benzoate CAS Name: 2-chloro-4-nitrobenzoic acid [2-[(3-cyano-1-cyclopentyl-4,5-dimethyl-2-pyrrolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)amino]-2-oxoethyl] 2-chloro-4-nitrobenzoate Traditional Name: 2-chloro-4-nitro-benzoic acid [2-[(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-keto-ethyl] ester Formula: C21H21ClN4O5 MolecularWeight: 444.86824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)COC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)C3CCCC3)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)COC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)C3CCCC3)C

InChI

InChI=1S/C21H21ClN4O5/c1-12-13(2)25(14-5-3-4-6-14)20(17(12)10-23)24-19(27)11-31-21(28)16-8-7-15(26(29)30)9-18(16)22/h7-9,14H,3-6,11H2,1-2H3,(H,24,27)