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

Systemtic Name: N-[3-(3-methyl-1-phenyl-pyrazol-4-yl)propyl]-2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanamide Openeye Name: N-[3-(3-methyl-1-phenyl-pyrazol-4-yl)propyl]-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide CAS Name: N-[3-(3-methyl-1-phenyl-4-pyrazolyl)propyl]-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide IUPAC Name: N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide Traditional Name: 2-(3-keto-6-nitro-1,4-benzoxazin-4-yl)-N-[3-(3-methyl-1-phenyl-pyrazol-4-yl)propyl]acetamide Formula: C23H23N5O5 MolecularWeight: 449.45922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1CCCNC(=O)CN2C(=O)COC3=C2C=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C=C1CCCNC(=O)CN2C(=O)COC3=C2C=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C23H23N5O5/c1-16-17(13-27(25-16)18-7-3-2-4-8-18)6-5-11-24-22(29)14-26-20-12-19(28(31)32)9-10-21(20)33-15-23(26)30/h2-4,7-10,12-13H,5-6,11,14-15H2,1H3,(H,24,29)