ethyl 2-(3,5-dinitrophenyl)carbonyl-5,6,7,8-tetrahydro-4H-1,4-benzothiazine-3-carboxylate

Systemtic Name: ethyl 2-(3,5-dinitrophenyl)carbonyl-5,6,7,8-tetrahydro-4H-1,4-benzothiazine-3-carboxylate Openeye Name: ethyl 2-(3,5-dinitrobenzoyl)-5,6,7,8-tetrahydro-4H-1,4-benzothiazine-3-carboxylate CAS Name: 2-[(3,5-dinitrophenyl)-oxomethyl]-5,6,7,8-tetrahydro-4H-1,4-benzothiazine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(3,5-dinitrobenzoyl)-5,6,7,8-tetrahydro-4H-1,4-benzothiazine-3-carboxylate Traditional Name: 2-(3,5-dinitrobenzoyl)-5,6,7,8-tetrahydro-4H-1,4-benzothiazine-3-carboxylic acid ethyl ester Formula: C18H17N3O7S MolecularWeight: 419.40848

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C(N1)CCCC2)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC2=C(N1)CCCC2)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O7S/c1-2-28-18(23)15-17(29-14-6-4-3-5-13(14)19-15)16(22)10-7-11(20(24)25)9-12(8-10)21(26)27/h7-9,19H,2-6H2,1H3