N-[4-(3-morpholin-4-ium-4-ylpropylcarbamoyl)phenyl]-3,5-dinitro-benzamide

Systemtic Name: N-[4-(3-morpholin-4-ium-4-ylpropylcarbamoyl)phenyl]-3,5-dinitro-benzamide Openeye Name: N-[4-(3-morpholin-4-ium-4-ylpropylcarbamoyl)phenyl]-3,5-dinitro-benzamide CAS Name: N-[4-[[3-(4-morpholin-4-iumyl)propylamino]-oxomethyl]phenyl]-3,5-dinitrobenzamide IUPAC Name: N-[4-(3-morpholin-4-ium-4-ylpropylcarbamoyl)phenyl]-3,5-dinitrobenzamide Traditional Name: N-[4-(3-morpholin-4-ium-4-ylpropylcarbamoyl)phenyl]-3,5-dinitro-benzamide Formula: C21H24N5O7+ MolecularWeight: 458.44456

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CCCNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O7/c27-20(22-6-1-7-24-8-10-33-11-9-24)15-2-4-17(5-3-15)23-21(28)16-12-18(25(29)30)14-19(13-16)26(31)32/h2-5,12-14H,1,6-11H2,(H,22,27)(H,23,28)/p+1