2-(4-nitrophenyl)carbonyl-5,6,7,8-tetrahydro-4H-1,4-benzothiazine-3-carbonitrile

Systemtic Name: 2-(4-nitrophenyl)carbonyl-5,6,7,8-tetrahydro-4H-1,4-benzothiazine-3-carbonitrile Openeye Name: 2-(4-nitrobenzoyl)-5,6,7,8-tetrahydro-4H-1,4-benzothiazine-3-carbonitrile CAS Name: 2-[(4-nitrophenyl)-oxomethyl]-5,6,7,8-tetrahydro-4H-1,4-benzothiazine-3-carbonitrile IUPAC Name: 2-(4-nitrobenzoyl)-5,6,7,8-tetrahydro-4H-1,4-benzothiazine-3-carbonitrile Traditional Name: 2-(4-nitrobenzoyl)-5,6,7,8-tetrahydro-4H-1,4-benzothiazine-3-carbonitrile Formula: C16H13N3O3S MolecularWeight: 327.35772

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)NC(=C(S2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

C1CCC2=C(C1)NC(=C(S2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C16H13N3O3S/c17-9-13-16(23-14-4-2-1-3-12(14)18-13)15(20)10-5-7-11(8-6-10)19(21)22/h5-8,18H,1-4H2