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

Systemtic Name: N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]-2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanamide Openeye Name: N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide CAS Name: N-[2-[(4-ethylphenyl)methyl]-3-pyrazolyl]-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide IUPAC Name: N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide Traditional Name: N-[2-(4-ethylbenzyl)pyrazol-3-yl]-2-(3-keto-6-nitro-1,4-benzoxazin-4-yl)acetamide Formula: C22H21N5O5 MolecularWeight: 435.43264

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN2C(=CC=N2)NC(=O)CN3C(=O)COC4=C3C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)CN2C(=CC=N2)NC(=O)CN3C(=O)COC4=C3C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H21N5O5/c1-2-15-3-5-16(6-4-15)12-26-20(9-10-23-26)24-21(28)13-25-18-11-17(27(30)31)7-8-19(18)32-14-22(25)29/h3-11H,2,12-14H2,1H3,(H,24,28)