4-ethoxy-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]-3-nitro-benzamide

Systemtic Name: 4-ethoxy-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]-3-nitro-benzamide Openeye Name: 4-ethoxy-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]-3-nitro-benzamide CAS Name: 4-ethoxy-N-[4-(4-morpholin-4-iumylmethyl)phenyl]-3-nitrobenzamide IUPAC Name: 4-ethoxy-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]-3-nitrobenzamide Traditional Name: 4-ethoxy-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]-3-nitro-benzamide Formula: C20H24N3O5+ MolecularWeight: 386.42166

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)C[NH+]3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)C[NH+]3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O5/c1-2-28-19-8-5-16(13-18(19)23(25)26)20(24)21-17-6-3-15(4-7-17)14-22-9-11-27-12-10-22/h3-8,13H,2,9-12,14H2,1H3,(H,21,24)/p+1