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

Systemtic Name: methyl 2-[2-[[3-chloranyl-4-(2-cyanopyrrol-1-yl)phenyl]methyl]pentanoylamino]-3-nitro-benzoate Openeye Name: methyl 2-[2-[[3-chloro-4-(2-cyanopyrrol-1-yl)phenyl]methyl]pentanoylamino]-3-nitro-benzoate CAS Name: 2-[[2-[[3-chloro-4-(2-cyano-1-pyrrolyl)phenyl]methyl]-1-oxopentyl]amino]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[2-[[3-chloro-4-(2-cyanopyrrol-1-yl)phenyl]methyl]pentanoylamino]-3-nitrobenzoate Traditional Name: 2-[2-[3-chloro-4-(2-cyanopyrrol-1-yl)benzyl]pentanoylamino]-3-nitro-benzoic acid methyl ester Formula: C25H23ClN4O5 MolecularWeight: 494.92692

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C25H23ClN4O5/c1-3-6-17(13-16-10-11-21(20(26)14-16)29-12-5-7-18(29)15-27)24(31)28-23-19(25(32)35-2)8-4-9-22(23)30(33)34/h4-5,7-12,14,17H,3,6,13H2,1-2H3,(H,28,31)