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

Systemtic Name: 2-[4-(3-methylphenyl)piperazin-1-yl]-N-(7-nitro-3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethanamide Openeye Name: 2-[4-(m-tolyl)piperazin-1-yl]-N-(7-nitro-3-oxo-4H-1,4-benzoxazin-6-yl)acetamide CAS Name: 2-[4-(3-methylphenyl)-1-piperazinyl]-N-(7-nitro-3-oxo-4H-1,4-benzoxazin-6-yl)acetamide IUPAC Name: 2-[4-(3-methylphenyl)piperazin-1-yl]-N-(7-nitro-3-oxo-4H-1,4-benzoxazin-6-yl)acetamide Traditional Name: N-(3-keto-7-nitro-4H-1,4-benzoxazin-6-yl)-2-[4-(m-tolyl)piperazino]acetamide Formula: C21H23N5O5 MolecularWeight: 425.43782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)CC(=O)NC3=C(C=C4C(=C3)NC(=O)CO4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)CC(=O)NC3=C(C=C4C(=C3)NC(=O)CO4)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O5/c1-14-3-2-4-15(9-14)25-7-5-24(6-8-25)12-20(27)22-16-10-17-19(11-18(16)26(29)30)31-13-21(28)23-17/h2-4,9-11H,5-8,12-13H2,1H3,(H,22,27)(H,23,28)