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

Systemtic Name: N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide Openeye Name: N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide CAS Name: N-[2-[(4-ethylphenyl)methyl]-3-pyrazolyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide IUPAC Name: N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide Traditional Name: N-[2-(4-ethylbenzyl)pyrazol-3-yl]-4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)butyramide Formula: C23H23N5O5 MolecularWeight: 449.45922

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN2C(=CC=N2)NC(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

Isomeric SMILES

CCC1=CC=C(C=C1)CN2C(=CC=N2)NC(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

InChI

InChI=1S/C23H23N5O5/c1-2-16-5-7-17(8-6-16)15-27-21(11-12-24-27)25-22(29)4-3-13-26-19-10-9-18(28(31)32)14-20(19)33-23(26)30/h5-12,14H,2-4,13,15H2,1H3,(H,25,29)