methyl 2-azanyl-7-nitro-4-sulfanylidene-5H-1,5-benzoxazepine-3-carboxylate

Systemtic Name: methyl 2-azanyl-7-nitro-4-sulfanylidene-5H-1,5-benzoxazepine-3-carboxylate Openeye Name: methyl 2-amino-7-nitro-4-thioxo-5H-1,5-benzoxazepine-3-carboxylate CAS Name: 2-amino-7-nitro-4-sulfanylidene-5H-1,5-benzoxazepine-3-carboxylic acid methyl ester IUPAC Name: methyl 2-amino-7-nitro-4-sulfanylidene-5H-1,5-benzoxazepine-3-carboxylate Traditional Name: 2-amino-7-nitro-4-thioxo-5H-1,5-benzoxazepine-3-carboxylic acid methyl ester Formula: C11H9N3O5S MolecularWeight: 295.27126

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(OC2=C(C=C(C=C2)[N+](=O)[O-])NC1=S)N

Isomeric SMILES

COC(=O)C1=C(OC2=C(C=C(C=C2)[N+](=O)[O-])NC1=S)N

InChI

InChI=1S/C11H9N3O5S/c1-18-11(15)8-9(12)19-7-3-2-5(14(16)17)4-6(7)13-10(8)20/h2-4H,12H2,1H3,(H,13,20)