1-[4-[(E)-2-morpholin-4-ium-4-ylethenyl]-3-nitro-phenyl]butan-1-one

Systemtic Name: 1-[4-[(E)-2-morpholin-4-ium-4-ylethenyl]-3-nitro-phenyl]butan-1-one Openeye Name: 1-[4-[(E)-2-morpholin-4-ium-4-ylvinyl]-3-nitro-phenyl]butan-1-one CAS Name: 1-[4-[(E)-2-(4-morpholin-4-iumyl)ethenyl]-3-nitrophenyl]-1-butanone IUPAC Name: 1-[4-[(E)-2-morpholin-4-ium-4-ylethenyl]-3-nitrophenyl]butan-1-one Traditional Name: 1-[4-[(E)-2-morpholin-4-ium-4-ylvinyl]-3-nitro-phenyl]butan-1-one Formula: C16H21N2O4+ MolecularWeight: 305.34894

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CC(=C(C=C1)C=C[NH+]2CCOCC2)[N+](=O)[O-]

Isomeric SMILES

CCCC(=O)C1=CC(=C(C=C1)/C=C/[NH+]2CCOCC2)[N+](=O)[O-]

InChI

InChI=1S/C16H20N2O4/c1-2-3-16(19)14-5-4-13(15(12-14)18(20)21)6-7-17-8-10-22-11-9-17/h4-7,12H,2-3,8-11H2,1H3/p+1/b7-6+