2-phenoxyethyl 3-[[4-[(3,5-dinitrothiophen-2-yl)diazenyl]-3-methyl-phenyl]-ethyl-amino]propanoate

Systemtic Name: 2-phenoxyethyl 3-[[4-[(3,5-dinitrothiophen-2-yl)diazenyl]-3-methyl-phenyl]-ethyl-amino]propanoate Openeye Name: 2-phenoxyethyl 3-[4-[(3,5-dinitro-2-thienyl)azo]-N-ethyl-3-methyl-anilino]propanoate CAS Name: 3-[4-[(3,5-dinitro-2-thiophenyl)azo]-N-ethyl-3-methylanilino]propanoic acid 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl 3-[4-[(3,5-dinitrothiophen-2-yl)diazenyl]-N-ethyl-3-methylanilino]propanoate Traditional Name: 3-[4-[(3,5-dinitro-2-thienyl)azo]-N-ethyl-3-methyl-anilino]propionic acid 2-phenoxyethyl ester Formula: C24H25N5O7S MolecularWeight: 527.5496

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC(=O)OCCOC1=CC=CC=C1)C2=CC(=C(C=C2)N=NC3=C(C=C(S3)[N+](=O)[O-])[N+](=O)[O-])C

Isomeric SMILES

CCN(CCC(=O)OCCOC1=CC=CC=C1)C2=CC(=C(C=C2)N=NC3=C(C=C(S3)[N+](=O)[O-])[N+](=O)[O-])C

InChI

InChI=1S/C24H25N5O7S/c1-3-27(12-11-23(30)36-14-13-35-19-7-5-4-6-8-19)18-9-10-20(17(2)15-18)25-26-24-21(28(31)32)16-22(37-24)29(33)34/h4-10,15-16H,3,11-14H2,1-2H3