N-(7-nitro-3-oxidanylidene-4H-1,4-benzoxazin-6-yl)-2-(4-phenylpiperazin-1-yl)ethanamide

Systemtic Name: N-(7-nitro-3-oxidanylidene-4H-1,4-benzoxazin-6-yl)-2-(4-phenylpiperazin-1-yl)ethanamide Openeye Name: N-(7-nitro-3-oxo-4H-1,4-benzoxazin-6-yl)-2-(4-phenylpiperazin-1-yl)acetamide CAS Name: N-(7-nitro-3-oxo-4H-1,4-benzoxazin-6-yl)-2-(4-phenyl-1-piperazinyl)acetamide IUPAC Name: N-(7-nitro-3-oxo-4H-1,4-benzoxazin-6-yl)-2-(4-phenylpiperazin-1-yl)acetamide Traditional Name: N-(3-keto-7-nitro-4H-1,4-benzoxazin-6-yl)-2-(4-phenylpiperazino)acetamide Formula: C20H21N5O5 MolecularWeight: 411.41124

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)NC2=C(C=C3C(=C2)NC(=O)CO3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CC(=O)NC2=C(C=C3C(=C2)NC(=O)CO3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C20H21N5O5/c26-19(12-23-6-8-24(9-7-23)14-4-2-1-3-5-14)21-15-10-16-18(11-17(15)25(28)29)30-13-20(27)22-16/h1-5,10-11H,6-9,12-13H2,(H,21,26)(H,22,27)