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

Systemtic Name: ethyl 2-[2-[(2-chloranyl-3,5-dinitro-phenyl)carbonylamino]-1,3-thiazol-4-yl]ethanoate Openeye Name: ethyl 2-[2-[(2-chloro-3,5-dinitro-benzoyl)amino]thiazol-4-yl]acetate CAS Name: 2-[2-[[(2-chloro-3,5-dinitrophenyl)-oxomethyl]amino]-4-thiazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[(2-chloro-3,5-dinitrobenzoyl)amino]-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[(2-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(=CC(=C2Cl)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CC1=CSC(=N1)NC(=O)C2=CC(=CC(=C2Cl)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H11ClN4O7S/c1-2-26-11(20)3-7-6-27-14(16-7)17-13(21)9-4-8(18(22)23)5-10(12(9)15)19(24)25/h4-6H,2-3H2,1H3,(H,16,17,21)