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

Systemtic Name: 2-[2-acetyloxyethyl-[4-[(3,5-dinitrothiophen-2-yl)diazenyl]-3-methyl-phenyl]amino]ethyl ethanoate Openeye Name: 2-[N-(2-acetoxyethyl)-4-[(3,5-dinitro-2-thienyl)azo]-3-methyl-anilino]ethyl acetate CAS Name: acetic acid 2-[N-(2-acetyloxyethyl)-4-[(3,5-dinitro-2-thiophenyl)azo]-3-methylanilino]ethyl ester IUPAC Name: 2-[N-(2-acetyloxyethyl)-4-[(3,5-dinitrothiophen-2-yl)diazenyl]-3-methylanilino]ethyl acetate Traditional Name: acetic acid 2-[N-(2-acetoxyethyl)-4-[(3,5-dinitro-2-thienyl)azo]-3-methyl-anilino]ethyl ester Formula: C19H21N5O8S MolecularWeight: 479.46374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N(CCOC(=O)C)CCOC(=O)C)N=NC2=C(C=C(S2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)N(CCOC(=O)C)CCOC(=O)C)N=NC2=C(C=C(S2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H21N5O8S/c1-12-10-15(22(6-8-31-13(2)25)7-9-32-14(3)26)4-5-16(12)20-21-19-17(23(27)28)11-18(33-19)24(29)30/h4-5,10-11H,6-9H2,1-3H3