ethyl 2-[2-(2-chloranyl-5-nitro-phenyl)carbonylimino-6-nitro-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[2-(2-chloranyl-5-nitro-phenyl)carbonylimino-6-nitro-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-(2-chloro-5-nitro-benzoyl)imino-6-nitro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[(2-chloro-5-nitrophenyl)-oxomethyl]imino-6-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(2-chloro-5-nitrobenzoyl)imino-6-nitro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(2-chloro-5-nitro-benzoyl)imino-6-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C18H13ClN4O7S MolecularWeight: 464.83642

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H13ClN4O7S/c1-2-30-16(24)9-21-14-6-4-11(23(28)29)8-15(14)31-18(21)20-17(25)12-7-10(22(26)27)3-5-13(12)19/h3-8H,2,9H2,1H3