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

Systemtic Name: ethyl 2-azanyl-7-nitro-4-sulfanylidene-5H-1,5-benzoxazepine-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C12H11N3O5S MolecularWeight: 309.29784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11N3O5S/c1-2-19-12(16)9-10(13)20-8-4-3-6(15(17)18)5-7(8)14-11(9)21/h3-5H,2,13H2,1H3,(H,14,21)