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methyl 3-nitro-5-[(6-nitro-1,3-benzothiazol-2-yl)carbamoyl]benzoate

methyl 3-nitro-5-[(6-nitro-1,3-benzothiazol-2-yl)carbamoyl]benzoate

Systemtic Name:methyl 3-nitro-5-[(6-nitro-1,3-benzothiazol-2-yl)carbamoyl]benzoate
Openeye Name:methyl 3-nitro-5-[(6-nitro-1,3-benzothiazol-2-yl)carbamoyl]benzoate
CAS Name:3-nitro-5-[[(6-nitro-1,3-benzothiazol-2-yl)amino]-oxomethyl]benzoic acid methyl ester
IUPAC Name:methyl 3-nitro-5-[(6-nitro-1,3-benzothiazol-2-yl)carbamoyl]benzoate
Traditional Name:3-nitro-5-[(6-nitro-1,3-benzothiazol-2-yl)carbamoyl]benzoic acid methyl ester
Formula: C16H10N4O7S
MolecularWeight: 402.3382
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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]


Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]


InChI

InChI=1S/C16H10N4O7S/c1-27-15(22)9-4-8(5-11(6-9)20(25)26)14(21)18-16-17-12-3-2-10(19(23)24)7-13(12)28-16/h2-7H,1H3,(H,17,18,21)


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