ethyl 2-[2-[(4-chloranyl-3,5-dinitro-phenyl)carbonylamino]-1,3-thiazol-4-yl]ethanoate

Systemtic Name: ethyl 2-[2-[(4-chloranyl-3,5-dinitro-phenyl)carbonylamino]-1,3-thiazol-4-yl]ethanoate Openeye Name: ethyl 2-[2-[(4-chloro-3,5-dinitro-benzoyl)amino]thiazol-4-yl]acetate CAS Name: 2-[2-[[(4-chloro-3,5-dinitrophenyl)-oxomethyl]amino]-4-thiazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[(4-chloro-3,5-dinitrobenzoyl)amino]-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[(4-chloro-3,5-dinitro-benzoyl)amino]thiazol-4-yl]acetic acid ethyl ester Formula: C14H11ClN4O7S MolecularWeight: 414.77774

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CSC(=N1)NC(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CC1=CSC(=N1)NC(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])Cl)[N+](=O)[O-]

InChI

InChI=1S/C14H11ClN4O7S/c1-2-26-11(20)5-8-6-27-14(16-8)17-13(21)7-3-9(18(22)23)12(15)10(4-7)19(24)25/h3-4,6H,2,5H2,1H3,(H,16,17,21)