2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(7-nitro-3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethanamide

Systemtic Name: 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(7-nitro-3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethanamide Openeye Name: 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(7-nitro-3-oxo-4H-1,4-benzoxazin-6-yl)acetamide CAS Name: 2-[4-(3-chlorophenyl)-1-piperazinyl]-N-(7-nitro-3-oxo-4H-1,4-benzoxazin-6-yl)acetamide IUPAC Name: 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(7-nitro-3-oxo-4H-1,4-benzoxazin-6-yl)acetamide Traditional Name: 2-[4-(3-chlorophenyl)piperazino]-N-(3-keto-7-nitro-4H-1,4-benzoxazin-6-yl)acetamide Formula: C20H20ClN5O5 MolecularWeight: 445.8563

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN5O5/c21-13-2-1-3-14(8-13)25-6-4-24(5-7-25)11-19(27)22-15-9-16-18(10-17(15)26(29)30)31-12-20(28)23-16/h1-3,8-10H,4-7,11-12H2,(H,22,27)(H,23,28)