ethyl 2-[5-nitro-2-(4-nitrophenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[5-nitro-2-(4-nitrophenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[5-nitro-2-(4-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[5-nitro-2-[(4-nitrophenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-nitro-2-(4-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[5-nitro-2-(4-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C18H14N4O7S MolecularWeight: 430.39136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14N4O7S/c1-2-29-16(23)10-20-14-9-13(22(27)28)7-8-15(14)30-18(20)19-17(24)11-3-5-12(6-4-11)21(25)26/h3-9H,2,10H2,1H3