N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]-2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanamide

Systemtic Name: N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]-2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanamide Openeye Name: N-[2-(m-tolylmethyl)pyrazol-3-yl]-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide CAS Name: N-[2-[(3-methylphenyl)methyl]-3-pyrazolyl]-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide IUPAC Name: N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide Traditional Name: 2-(3-keto-6-nitro-1,4-benzoxazin-4-yl)-N-[2-(3-methylbenzyl)pyrazol-3-yl]acetamide Formula: C21H19N5O5 MolecularWeight: 421.40606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C(=CC=N2)NC(=O)CN3C(=O)COC4=C3C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)CN2C(=CC=N2)NC(=O)CN3C(=O)COC4=C3C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H19N5O5/c1-14-3-2-4-15(9-14)11-25-19(7-8-22-25)23-20(27)12-24-17-10-16(26(29)30)5-6-18(17)31-13-21(24)28/h2-10H,11-13H2,1H3,(H,23,27)