2-[2-acetyloxyethyl-[4-[(3,5-dinitrothiophen-2-yl)diazenyl]phenyl]amino]ethyl ethanoate

Systemtic Name: 2-[2-acetyloxyethyl-[4-[(3,5-dinitrothiophen-2-yl)diazenyl]phenyl]amino]ethyl ethanoate Openeye Name: 2-[N-(2-acetoxyethyl)-4-[(3,5-dinitro-2-thienyl)azo]anilino]ethyl acetate CAS Name: acetic acid 2-[N-(2-acetyloxyethyl)-4-[(3,5-dinitro-2-thiophenyl)azo]anilino]ethyl ester IUPAC Name: 2-[N-(2-acetyloxyethyl)-4-[(3,5-dinitrothiophen-2-yl)diazenyl]anilino]ethyl acetate Traditional Name: acetic acid 2-[N-(2-acetoxyethyl)-4-[(3,5-dinitro-2-thienyl)azo]anilino]ethyl ester Formula: C18H19N5O8S MolecularWeight: 465.43716

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCN(CCOC(=O)C)C1=CC=C(C=C1)N=NC2=C(C=C(S2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(=O)OCCN(CCOC(=O)C)C1=CC=C(C=C1)N=NC2=C(C=C(S2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H19N5O8S/c1-12(24)30-9-7-21(8-10-31-13(2)25)15-5-3-14(4-6-15)19-20-18-16(22(26)27)11-17(32-18)23(28)29/h3-6,11H,7-10H2,1-2H3