N,N-diethyl-2-[4-[4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N,N-diethyl-2-[4-[4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N,N-diethyl-2-[4-[4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanoyl]piperazin-1-ium-1-yl]acetamide CAS Name: N,N-diethyl-2-[4-[4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-1-oxobutyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N,N-diethyl-2-[4-[4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N,N-diethyl-2-[4-[4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)butanoyl]piperazin-1-ium-1-yl]acetamide Formula: C21H30N5O6+ MolecularWeight: 448.4928

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C[NH+]1CCN(CC1)C(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O

Isomeric SMILES

CCN(CC)C(=O)C[NH+]1CCN(CC1)C(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O

InChI

InChI=1S/C21H29N5O6/c1-3-23(4-2)20(28)15-22-10-12-24(13-11-22)19(27)6-5-9-25-17-8-7-16(26(30)31)14-18(17)32-21(25)29/h7-8,14H,3-6,9-13,15H2,1-2H3/p+1