(E)-1-(1,4-diazepan-4-ium-1-yl)-3-(3-nitrophenyl)prop-2-en-1-one

Systemtic Name: (E)-1-(1,4-diazepan-4-ium-1-yl)-3-(3-nitrophenyl)prop-2-en-1-one Openeye Name: (E)-1-(1,4-diazepan-4-ium-1-yl)-3-(3-nitrophenyl)prop-2-en-1-one CAS Name: (E)-1-(1,4-diazepan-4-ium-1-yl)-3-(3-nitrophenyl)-2-propen-1-one IUPAC Name: (E)-1-(1,4-diazepan-4-ium-1-yl)-3-(3-nitrophenyl)prop-2-en-1-one Traditional Name: (E)-1-(1,4-diazepan-4-ium-1-yl)-3-(3-nitrophenyl)prop-2-en-1-one Formula: C14H18N3O3+ MolecularWeight: 276.31102

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)C(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C1C[NH2+]CCN(C1)C(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H17N3O3/c18-14(16-9-2-7-15-8-10-16)6-5-12-3-1-4-13(11-12)17(19)20/h1,3-6,11,15H,2,7-10H2/p+1/b6-5+